Geometry & MOs

Info

ID:	390801
PubChem CID:	135001003
Reduced:	SN2O3H26C30 (1)
Stoich.:	AB2C3D26E30 (1)
Weight, g/mol:	418.156895
ΔH_f, kcal/mol:	59.4
Dipole, Da:	6.33
IP(EA), eV:	-8.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1-phenylethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C(C#CC2=CC=CC=C2)C3=CC=CC=C3)/N=C/C4=CC=C(C=C4)OC

DOS

IR

Vibrations