Geometry & MOs

Info

ID:	30527
PubChem CID:	841453
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	2.79
IP(EA), eV:	-8.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3CCCC3

DOS

IR

Vibrations