Geometry & MOs

Info

ID:	435518
PubChem CID:	135191701
Reduced:	SH16C19 (1)
Stoich.:	AB16C19 (1)
Weight, g/mol:	332.159872
ΔH_f, kcal/mol:	63.41
Dipole, Da:	1.47
IP(EA), eV:	-8.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR)-4a,9-dimethyl-4-(4-propan-2-ylphenyl)-4H-dibenzothiophene

Drug info:

PubChemData

Smile

CC1=CC[C@H](C=C1)C2=CC3=C(C=C2)C4=CC=CC=C4S3

DOS

IR

Vibrations