Geometry & MOs

Info

ID:	231575
PubChem CID:	87574169
Reduced:	ClNSO2C21H22 (1)
Stoich.:	ABCD2E21F22 (1)
Weight, g/mol:	632.263017
ΔH_f, kcal/mol:	24.67
Dipole, Da:	5.27
IP(EA), eV:	-8.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-(2-ethenoxyethoxy)phenyl]-diphenyl-lambda4-sulfanyl] 2,4,6-tri(propan-2-yl)benzenesulfonate

Drug info:

PubChemData

Smile

CN1CCC(=C2C=C3C=CC=CC3=CC4=C2C=C(S4)CC(=O)O)CC1.Cl

DOS

IR

Vibrations