Geometry & MOs

Info

ID:	67939
PubChem CID:	46507476
Reduced:	ClO3N5H22C23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	465.118084
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	4.79
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazole-1-carbonyl)-N-methyl-N-(3-methylphenyl)-4-phenylthiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CCN1C=C2C(=N1)C(=O)N(C(=O)N2CC(=O)NC3=C(C(=CC=C3)Cl)C)CC4=CC=CC=C4

DOS

IR

Vibrations