Geometry & MOs

Info

ID:	78540
PubChem CID:	49693528
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-62.78
Dipole, Da:	5.0
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylsulfanylbenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC(=NN2C)C

DOS

IR

Vibrations