Geometry & MOs

Info

ID:	220408
PubChem CID:	85182443
Reduced:	O5C30H38 (1)
Stoich.:	A5B30C38 (1)
Weight, g/mol:	478.329439
ΔH_f, kcal/mol:	-144.74
Dipole, Da:	2.78
IP(EA), eV:	-9.28(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-(5-cyclopropyl-3,4-dihydroxyhexan-2-yl)-4,5-dihydroxy-2,16-dimethyl-8-oxatetracyclo[9.7.0.02,7.012,16]octadecan-9-one

Drug info:

PubChemData

Smile

CC12CC=CCOC1CC3C(O2)C(CC(O3)CCCOCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations