Geometry & MOs

Info

ID:	404248
PubChem CID:	135065577
Reduced:	ClNSO2C15H24 (1)
Stoich.:	ABCD2E15F24 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-105.69
Dipole, Da:	5.4
IP(EA), eV:	-9.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-5-methyl-3-methylsulfanyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(CN(C)S(=O)(=O)C1=CC=C(C=C1)C)Cl

DOS

IR

Vibrations