Geometry & MOs

Info

ID:	439611
PubChem CID:	135229397
Reduced:	SO3N9C38H41 (1)
Stoich.:	AB3C9D38E41 (1)
Weight, g/mol:	448.182715
ΔH_f, kcal/mol:	35.42
Dipole, Da:	3.58
IP(EA), eV:	-8.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(1Z)-buta-1,3-dienyl]-11-methylspiro[benzo[c]xanthene-7,9'-fluorene]

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C4=C(CCN(C4)CC(=O)C5CCN(CC5)C6=NC=C(C=C6)C7=NC=CC=N7)SC

DOS

IR

Vibrations