Geometry & MOs

Info

ID:	31194
PubChem CID:	855080
Reduced:	SN2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	31.61
Dipole, Da:	5.98
IP(EA), eV:	-8.28(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-methylbenzohydrazide

Drug info:

PubChemData

Smile

CN(C)C(=S)NCC1=CC=CC=C1

DOS

IR

Vibrations