Geometry & MOs

Info

ID:	386955
PubChem CID:	134983493
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	302.112922
ΔH_f, kcal/mol:	2.83
Dipole, Da:	5.03
IP(EA), eV:	-8.18(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-5-methylidene-6-(2-phenyl-2-phenylsulfanylethylidene)cyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)C)[C@@H](CC=O)C2=CC=CC=C2

DOS

IR

Vibrations