Geometry & MOs

Info

ID:	156630
PubChem CID:	56371433
Reduced:	BrNS2O5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	490.06742
ΔH_f, kcal/mol:	-167.28
Dipole, Da:	7.41
IP(EA), eV:	-9.6(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N,2-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC=C(C=C1)S(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations