Geometry & MOs

Info

ID:	404364
PubChem CID:	135066032
Reduced:	OSC18H22 (1)
Stoich.:	ABC18D22 (1)
Weight, g/mol:	1176.5443
ΔH_f, kcal/mol:	-5.14
Dipole, Da:	5.0
IP(EA), eV:	-8.18(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC[C@@H](C)C1=CC=CC=C1[S@@](=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations