Geometry & MOs

Info

ID:	68493
PubChem CID:	46508520
Reduced:	BrSN3O4C20H24 (1)
Stoich.:	ABC3D4E20F24 (1)
Weight, g/mol:	423.219178
ΔH_f, kcal/mol:	-129.81
Dipole, Da:	5.17
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-N-(2-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations