Geometry & MOs

Info

ID:	154519
PubChem CID:	56313976
Reduced:	N2S3O5H20C21 (1)
Stoich.:	A2B3C5D20E21 (1)
Weight, g/mol:	476.101054
ΔH_f, kcal/mol:	-127.78
Dipole, Da:	8.6
IP(EA), eV:	-8.61(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3CCS(=O)(=O)C4=CC=CC=C34

DOS

IR

Vibrations