Geometry & MOs

Info

ID:	382446
PubChem CID:	134973599
Reduced:	O3C19H20 (1)
Stoich.:	A3B19C20 (1)
Weight, g/mol:	404.099988
ΔH_f, kcal/mol:	-104.13
Dipole, Da:	5.56
IP(EA), eV:	-9.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-(2-ethylsulfanylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

Drug info:

PubChemData

Smile

CCC1=C(C(=O)OC(C1)(C2=CC3=CC=CC=C3C=C2)O)CC

DOS

IR

Vibrations