Geometry & MOs

Info

ID:	49606
PubChem CID:	11533349
Reduced:	OCl3N3H20C26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	496.212885
ΔH_f, kcal/mol:	33.76
Dipole, Da:	2.66
IP(EA), eV:	-8.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN(C3=C2CCCC4=C3C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations