Geometry & MOs

Info

ID:	395292
PubChem CID:	135025102
Reduced:	NSO3C26H27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	433.171165
ΔH_f, kcal/mol:	-44.39
Dipole, Da:	5.96
IP(EA), eV:	-8.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C[C@H](N([C@@H](O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C)C=C

DOS

IR

Vibrations