Geometry & MOs

Info

ID:	438142
PubChem CID:	135227769
Reduced:	ClNH14C15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	310.106122
ΔH_f, kcal/mol:	53.21
Dipole, Da:	2.57
IP(EA), eV:	-8.62(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylsulfanylcyclohexa-2,4-dien-1-yl)sulfonyl-2-propan-2-ylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)Cl)C

DOS

IR

Vibrations