Geometry & MOs

Info

ID:	351068
PubChem CID:	127279505
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-116.9
Dipole, Da:	7.6
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3CCCCC3

DOS

IR

Vibrations