Geometry & MOs

Info

ID:	138985
PubChem CID:	52454364
Reduced:	O2N6C21H21 (1)
Stoich.:	A2B6C21D21 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	43.02
Dipole, Da:	3.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.025625
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(2S)-butan-2-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CN2C(=O)[N+]3=C(N2)N=C(C=C3)NC4=CC=CC=C4

DOS

IR

Vibrations