Geometry & MOs

Info

ID:	26570
PubChem CID:	652969
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	340.099397
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	8.3
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-phenylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)NC1(CCN(CC1)C(=O)C2=CC=CO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations