Geometry & MOs

Info

ID:	404163
PubChem CID:	135065245
Reduced:	ClNO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	425.0182
ΔH_f, kcal/mol:	-114.1
Dipole, Da:	1.5
IP(EA), eV:	-10.15(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H]2C[C@@H](CC1Cl)C(=O)C2

DOS

IR

Vibrations