Geometry & MOs

Info

ID:	194781
PubChem CID:	78588798
Reduced:	N2O7H18C21 (1)
Stoich.:	A2B7C18D21 (1)
Weight, g/mol:	415.111439
ΔH_f, kcal/mol:	-192.93
Dipole, Da:	6.27
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1C(=O)C)OCO2)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations