Geometry & MOs

Info

ID:	395291
PubChem CID:	135025101
Reduced:	NSO3C26H27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	433.171165
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	4.79
IP(EA), eV:	-9.03(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S,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