Geometry & MOs

Info

ID:	366262
PubChem CID:	127319719
Reduced:	S2N3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-174.68
Dipole, Da:	3.52
IP(EA), eV:	-8.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CCC(=O)NC3CCCS(=O)(=O)C3)C

DOS

IR

Vibrations