Geometry & MOs

Info

ID:	33092
PubChem CID:	7850979
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	422.155866
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	4.66
IP(EA), eV:	-8.5(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)COC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations