Geometry & MOs

Info

ID:	137696
PubChem CID:	52246198
Reduced:	IN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-50.55
Dipole, Da:	3.49
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](CN1CCOCC1)NC(=O)C2=CC=C(C=C2)I

DOS

IR

Vibrations