Geometry & MOs

Info

ID:	436898
PubChem CID:	135212733
Reduced:	NO3C27H37 (1)
Stoich.:	AB3C27D37 (1)
Weight, g/mol:	379.139471
ΔH_f, kcal/mol:	-147.53
Dipole, Da:	3.54
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-methylidene-2-[(1E)-1-(2-methylidene-1-benzothiophen-3-ylidene)ethyl]phenanthridine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)C(C)CCC(C)C2=CC(=C(C=C2)C(C)C)C(=O)N)C(=O)OC

DOS

IR

Vibrations