Geometry & MOs

Info

ID:	393605
PubChem CID:	135021187
Reduced:	SN3O3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-33.04
Dipole, Da:	6.73
IP(EA), eV:	-10.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-hydroxy-6-methoxy-2,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C/C#N)/C(C2=O)CC#N

DOS

IR

Vibrations