Geometry & MOs

Info

ID:	15545
PubChem CID:	443935
Reduced:	OSC19H30 (1)
Stoich.:	ABC19D30 (1)
Weight, g/mol:	306.201737
ΔH_f, kcal/mol:	-41.21
Dipole, Da:	3.39
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R,6S,8S,11R,12S,15S,16S)-2,16-dimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)S5)C

DOS

IR

Vibrations