Geometry & MOs

Info

ID:	237308
PubChem CID:	92718124
Reduced:	S2N4O5C21H24 (1)
Stoich.:	A2B4C5D21E24 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-155.85
Dipole, Da:	8.19
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-1-butyl-N-[4-(diethylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@@H](C)COC)S(=O)(=O)N

DOS

IR

Vibrations