Geometry & MOs

Info

ID:	61164
PubChem CID:	26706505
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-154.94
Dipole, Da:	2.62
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-[[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations