Geometry & MOs

Info

ID:	427604
PubChem CID:	135160458
Reduced:	SN2C27H44 (1)
Stoich.:	AB2C27D44 (1)
Weight, g/mol:	485.332751
ΔH_f, kcal/mol:	-18.19
Dipole, Da:	3.28
IP(EA), eV:	-8.46(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6E)-2-(4,4-dimethylcyclohexyl)-6,9-dimethyl-8,9-dihydrothieno[3,2-c]azocin-4-yl]-7-hydroxy-4-methyldecan-1-one

Drug info:

PubChemData

Smile

CCC/C=C(\C)/N=C(CN(C)C1CCCCCC1)C2=C(SC(=C2)C3CCCCC3)C

DOS

IR

Vibrations