Geometry & MOs

Info

ID:	133026
PubChem CID:	51464808
Reduced:	NCl2O4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	480.12431
ΔH_f, kcal/mol:	-105.95
Dipole, Da:	3.55
IP(EA), eV:	-9.25(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations