Geometry & MOs

Info

ID:	237407
PubChem CID:	92719079
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	459.172896
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	11.09
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC2=C(S(=O)(=O)C3=CC=CC=C32)C(=O)N4CCOCC4

DOS

IR

Vibrations