Geometry & MOs

Info

ID:

220109

PubChem CID:

85165251

Reduced:

SN4O13C27H32 (1)

Stoich.:

AB4C13D27E32 (1)

Weight, g/mol:

652.2897

ΔHf, kcal/mol:

-380.74

Dipole, Da:

14.97

IP(EA), eV:

 -10.01(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[7-benzyl-5-oxo-6-[2-(phenylmethoxycarbonylamino)propanoylamino]-2,3,8,8a-tetrahydro-1H-indolizine-3-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OC(CCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations