Geometry & MOs

Info

ID:	124894
PubChem CID:	50901729
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	785.388745
ΔH_f, kcal/mol:	-173.73
Dipole, Da:	2.8
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (4S)-4-[[[(5S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(4-methoxyphenyl)methoxy]-6-oxohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

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(=O)OC1=CC=C(C=C1)/C=C/[C@@H]2CCCCN2C(=O)OC(C)(C)C

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(=O)OC1=CC=C(C=C1)/C=C/[C@@H]2CCCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):