Geometry & MOs

Info

ID:	195120
PubChem CID:	78637932
Reduced:	N2O3C10H10 (2)
Stoich.:	A2B3C10D10 (2)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-103.19
Dipole, Da:	8.76
IP(EA), eV:	-9.41(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

DOS

IR

Vibrations