Geometry & MOs

Info

ID:	70719
PubChem CID:	48413770
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	50.49
Dipole, Da:	2.19
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)sulfanyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations