Geometry & MOs

Info

ID:	156706
PubChem CID:	56371827
Reduced:	BrClNSO4C19H21 (1)
Stoich.:	ABCDE4F19G21 (1)
Weight, g/mol:	462.03612
ΔH_f, kcal/mol:	-140.12
Dipole, Da:	8.82
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-bromophenyl)sulfonyl-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Cl)NC(=O)C(C)(C)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations