Geometry & MOs

Info

ID:	156536
PubChem CID:	56371044
Reduced:	OS2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	425.98851
ΔH_f, kcal/mol:	41.09
Dipole, Da:	4.66
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-2-methyl-N-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations