Geometry & MOs

Info

ID:	39462
PubChem CID:	8140891
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	-107.35
Dipole, Da:	3.85
IP(EA), eV:	-8.93(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)O[C@@H](C)C(=O)NCC(=O)NC2=C(C=CC=C2C)C

DOS

IR

Vibrations