Geometry & MOs

Info

ID:	31197
PubChem CID:	855124
Reduced:	ClOSN4C14H15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	38.74
Dipole, Da:	5.15
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)C3CC3

DOS

IR

Vibrations