Geometry & MOs

Info

ID:	436876
PubChem CID:	135212525
Reduced:	ClNSO4H14C17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	374.141913
ΔH_f, kcal/mol:	-87.56
Dipole, Da:	3.59
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexa-1,3-dien-1-yl-4-(2-methoxy-7,8-didehydrocarbazol-9-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)OC2=C(OC(C2=O)C3=CC=C(C=C3)Cl)N

DOS

IR

Vibrations