Geometry & MOs

Info

ID:	395163
PubChem CID:	135024818
Reduced:	NO4H25C36 (1)
Stoich.:	AB4C25D36 (1)
Weight, g/mol:	469.171165
ΔH_f, kcal/mol:	54.84
Dipole, Da:	6.86
IP(EA), eV:	-9.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,6S)-4-ethenyl-3-(4-methylphenyl)sulfonyl-6-naphthalen-2-yl-2-phenyl-1,3-oxazinane

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2C(=C1)C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)[N+](=O)[O-]

DOS

IR

Vibrations