Geometry & MOs

Info

ID:	56247
PubChem CID:	17422826
Reduced:	OSN4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	384.136845
ΔH_f, kcal/mol:	66.51
Dipole, Da:	0.54
IP(EA), eV:	-9.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1(C(C(=O)NC(=C1C#N)SCC2=CC=CC3=C2N=CC=C3)C#N)C

DOS

IR

Vibrations