Geometry & MOs

Info

ID:	206825
PubChem CID:	80306094
Reduced:	ClFOSN2C15H16 (1)
Stoich.:	ABCDE2F15G16 (1)
Weight, g/mol:	310.089975
ΔH_f, kcal/mol:	-67.84
Dipole, Da:	1.01
IP(EA), eV:	-9.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-amino-4-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC(=O)CC2=NC(=CS2)CCl)F

DOS

IR

Vibrations