Geometry & MOs

Info

ID:	131463
PubChem CID:	51209823
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	358.182733
ΔH_f, kcal/mol:	14.36
Dipole, Da:	6.19
IP(EA), eV:	-8.99(-0.42)
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-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC(CC(C)C)C2=CC=CC=C2)C3CC3

DOS

IR

Vibrations