Geometry & MOs

Info

ID:	441747
PubChem CID:	135243238
Reduced:	SC20H24 (1)
Stoich.:	AB20C24 (1)
Weight, g/mol:	388.180346
ΔH_f, kcal/mol:	22.69
Dipole, Da:	2.44
IP(EA), eV:	-8.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(E)-methoxy(13-tricyclo[7.3.1.02,7]tridec-2(7)-enylidene)methyl]phenyl]methylphosphonic acid

Drug info:

PubChemData

Smile

CCC(=C)C1=CC=C(C=C1)C(C)(C)SC2=CC=C(C=C2)C

DOS

IR

Vibrations