Geometry & MOs

Info

ID:	404164
PubChem CID:	135065246
Reduced:	BrClNOH17C22 (1)
Stoich.:	ABCDE17F22 (1)
Weight, g/mol:	363.00255
ΔH_f, kcal/mol:	45.13
Dipole, Da:	2.13
IP(EA), eV:	-9.67(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-2-(4-bromophenyl)-5-chloro-6-methyl-6-phenyl-4,5-dihydro-1,3-oxazine

Drug info:

PubChemData

Smile

C1[C@@H](C(OC(=N1)C2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations