Geometry & MOs

Info

ID:	223948
PubChem CID:	85336252
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	384.23006
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	6.3
IP(EA), eV:	-9.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethoxycarbonyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)C1=NN=C(O1)SCCNC)NC(=O)C2CCOCC2

DOS

IR

Vibrations