Geometry & MOs

Info

ID:	137019
PubChem CID:	52139098
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	280.135782
ΔH_f, kcal/mol:	51.45
Dipole, Da:	12.23
IP(EA), eV:	-9.35(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-cyclobutyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CCCC1=NC(=O)C=C(N1)CSC2=NN=C(N2CC=C)C3CC3

DOS

IR

Vibrations