Geometry & MOs

Info

ID:	47410
PubChem CID:	10532444
Reduced:	N4O7C28H48 (1)
Stoich.:	A4B7C28D48 (1)
Weight, g/mol:	668.266205
ΔH_f, kcal/mol:	-365.64
Dipole, Da:	7.95
IP(EA), eV:	-8.59(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[N'-[3-[[(3R,6S,8aS)-6-(benzylsulfonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carbonyl]amino]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]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

CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1CCCCCCC1)C(=O)O)C(=O)CCCC2CCNCC2

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

CCN(CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1CCCCCCC1)C(=O)O)C(=O)CCCC2CCNCC2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):