Geometry & MOs

Info

ID:	175250
PubChem CID:	75873538
Reduced:	NCl2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	414.138006
ΔH_f, kcal/mol:	-74.78
Dipole, Da:	4.96
IP(EA), eV:	-9.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-cyclopropyl-N-(3-methylbutan-2-yl)-5-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC(C)C(C)N(C1CC1)C(=O)COC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations