Geometry & MOs

Info

ID:	175355
PubChem CID:	75887138
Reduced:	ClN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-129.78
Dipole, Da:	2.64
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)CNC(=O)CCCOC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations