Geometry & MOs

Info

ID:	222585
PubChem CID:	85305571
Reduced:	N2O3C22H34 (1)
Stoich.:	A2B3C22D34 (1)
Weight, g/mol:	374.191566
ΔH_f, kcal/mol:	-95.5
Dipole, Da:	2.89
IP(EA), eV:	-8.7(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(7-hydroxy-4a,8-dimethyl-5-phenylsulfanyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propanoate

Drug info:

PubChemData

Smile

CC12CCC(CC1(CCC2C=NOCCN(C)C)O)C3=CC=CC(=C3)CO

DOS

IR

Vibrations