Geometry & MOs

Info

ID:	67834
PubChem CID:	46507264
Reduced:	ClN2O3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	483.108662
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	5.36
IP(EA), eV:	-9.2(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=NC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations