Geometry & MOs

Info

ID:	63751
PubChem CID:	26759112
Reduced:	BrN2S2O4C20H23 (1)
Stoich.:	AB2C2D4E20F23 (1)
Weight, g/mol:	451.087178
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	9.77
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-4-methylsulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCC3=CC(=CC=C3)Br

DOS

IR

Vibrations