Geometry & MOs

Info

ID:	70718
PubChem CID:	48413769
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	5.15
Dipole, Da:	2.69
IP(EA), eV:	-9.07(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations