Geometry & MOs

Info

ID:	397882
PubChem CID:	135030898
Reduced:	SO4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	354.198365
ΔH_f, kcal/mol:	-110.61
Dipole, Da:	3.15
IP(EA), eV:	-8.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl(1-heptacyclo[6.6.6.13,6.110,13.02,7.09,14.015,20]docosa-4,11,15,17,19-pentaenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1SC(C(=C2)C(=O)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations