Geometry & MOs

Info

ID:	85061
PubChem CID:	49871553
Reduced:	SN4O5C24H38 (1)
Stoich.:	AB4C5D24E38 (1)
Weight, g/mol:	561.323413
ΔH_f, kcal/mol:	-182.69
Dipole, Da:	1.75
IP(EA), eV:	-8.88(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,5S,10bR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H](C)[C@@H](C(=O)N1[C@H](C[C@@H](O1)C2=NC(=CS2)C(=O)OC)C(C)C)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H](C)[C@@H](C(=O)N1[C@H](C[C@@H](O1)C2=NC(=CS2)C(=O)OC)C(C)C)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):