Geometry & MOs

Info

ID:	32564
PubChem CID:	7844845
Reduced:	NO5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	309.162332
ΔH_f, kcal/mol:	-147.88
Dipole, Da:	5.36
IP(EA), eV:	-8.72(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations