Geometry & MOs

Info

ID:	404712
PubChem CID:	135069819
Reduced:	SN3O10H27C30 (1)
Stoich.:	AB3C10D27E30 (1)
Weight, g/mol:	314.151809
ΔH_f, kcal/mol:	-182.94
Dipole, Da:	2.26
IP(EA), eV:	-8.57(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-(4-methoxyphenyl)-1-oxo-3,4,5,6,7,8-hexahydro-2H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3C4=C(C(O2)CC3(C(=O)OC)C(=O)OC)C5=CC=CC=C5N4S(=O)(=O)C6=CC=C(C=C6)[N+](=O)[O-]

DOS

IR

Vibrations