Geometry & MOs

Info

ID:

189185

PubChem CID:

77825737

Reduced:

NO2C10H11 (3)

Stoich.:

AB2C10D11 (3)

Weight, g/mol:

515.164555

ΔHf, kcal/mol:

-192.66

Dipole, Da:

4.21

IP(EA), eV:

 -9.58(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(3-aminophenyl)pyrrolidin-1-yl]-N-[[5-[(2-chlorophenyl)methyl]-2,3-dihydrothiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(=O)C1(CCN(CC1)C(=O)C(CC(=O)NCC2=NC(=CO2)CC3=CC=CC=C3)OC(=O)C)C4=CC=CC=C4

DOS

IR

Vibrations