Geometry & MOs

Info

ID:	217408
PubChem CID:	85087772
Reduced:	S2O5C16H24 (1)
Stoich.:	A2B5C16D24 (1)
Weight, g/mol:	360.266445
ΔH_f, kcal/mol:	-235.54
Dipole, Da:	5.36
IP(EA), eV:	-8.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-8-hydroxy-5,8a-dimethyl-5-(5-methylhept-4-en-2-yl)-1,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1C(OC(=O)C1(C2SCCCS2)C(=O)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations