Geometry & MOs

Info

ID:	36239
PubChem CID:	7982278
Reduced:	ClSO3N5C17H22 (1)
Stoich.:	ABC3D5E17F22 (1)
Weight, g/mol:	403.07574
ΔH_f, kcal/mol:	-87.6
Dipole, Da:	7.9
IP(EA), eV:	-9.16(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)NC(=O)CSC1=NNC(=N1)C2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations