Geometry & MOs

Info

ID:	314311
PubChem CID:	126621269
Reduced:	PO2H5C8 (1)
Stoich.:	AB2C5D8 (1)
Weight, g/mol:	435.0286
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	5.18
IP(EA), eV:	-9.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-bromophenyl)-5-methylsulfonyl-1,2,4-triazol-1-yl]methoxy]ethyl-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#P)C(=O)O

DOS

IR

Vibrations