Geometry & MOs

Info

ID:	195664
PubChem CID:	78719789
Reduced:	NO2C7H7 (3)
Stoich.:	AB2C7D7 (3)
Weight, g/mol:	397.13726
ΔH_f, kcal/mol:	-204.81
Dipole, Da:	5.85
IP(EA), eV:	-9.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3O2

DOS

IR

Vibrations