Geometry & MOs

Info

ID:	380012
PubChem CID:	134964480
Reduced:	OPC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	270.084514
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	1.5
IP(EA), eV:	-8.12(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-one

Drug info:

PubChemData

Smile

CCP(C1=CC=CC=C1)C2=CC=CC=C2OC(C)(C)C

DOS

IR

Vibrations