Geometry & MOs

Info

ID:	380701
PubChem CID:	134971228
Reduced:	NSO4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	372.02224
ΔH_f, kcal/mol:	-149.92
Dipole, Da:	6.55
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-iodo-5-oxo-7,8-dihydro-6H-naphthalen-2-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=S)N1C(=O)C[C@H](COCC2=CC=CC=C2)O

DOS

IR

Vibrations