Geometry & MOs

Info

ID:	216948
PubChem CID:	85087023
Reduced:	O4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	318.128966
ΔH_f, kcal/mol:	-177.73
Dipole, Da:	9.64
IP(EA), eV:	-9.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-8-phenylsulfanyl-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl) acetate

Drug info:

PubChemData

Smile

CC1(CCCC2C1CCC(=C)C2CCC3=CCOC3=O)C(=O)O

DOS

IR

Vibrations