Geometry & MOs

Info

ID:	178530
PubChem CID:	76342869
Reduced:	SO3N4C27H38 (1)
Stoich.:	AB3C4D27E38 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-149.86
Dipole, Da:	8.26
IP(EA), eV:	-8.57(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonamido)-N-[3-(5-methylpyrazol-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C(=O)C3CCC(CC3NC2=S)C(=O)NC4CCN(CC4)C(=O)CC(C)C)C

DOS

IR

Vibrations