Geometry & MOs

Info

ID:	153279
PubChem CID:	56312455
Reduced:	S2N3O4C25H29 (1)
Stoich.:	A2B3C4D25E29 (1)
Weight, g/mol:	452.097683
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	7.63
IP(EA), eV:	-8.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrazol-4-yl)-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)CC2=CC=CC(=C2)CNC(=O)C3=C(C=CS3)S(=O)(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations