Geometry & MOs

Info

ID:	44377
PubChem CID:	10503275
Reduced:	S2H28C29 (1)
Stoich.:	A2B28C29 (1)
Weight, g/mol:	440.365431
ΔH_f, kcal/mol:	145.01
Dipole, Da:	2.15
IP(EA), eV:	-8.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,11S,12S,15R,16R)-15-[(2R)-5-hydroxy-6-methylhept-6-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

Drug info:

PubChemData

Smile

CCCCSCCSC(=C=C(C#CC1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations