Geometry & MOs

Info

ID:	189199
PubChem CID:	77825751
Reduced:	N3O4C28H37 (1)
Stoich.:	A3B4C28D37 (1)
Weight, g/mol:	458.083384
ΔH_f, kcal/mol:	-153.29
Dipole, Da:	2.6
IP(EA), eV:	-8.76(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,5-dichlorophenyl)pyrrolidin-1-yl]-N-[2-(2,3-dihydrothiophen-2-yl)ethyl]-2,3-dihydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1CN(CCC1CNC(=O)C(C(C(=O)N2CCCC2C3=CC=CC=C3)O)O)C4=CC=CC=C4C

DOS

IR

Vibrations