Geometry & MOs

Info

ID:	228369
PubChem CID:	87564104
Reduced:	SO3N5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	455.10961
ΔH_f, kcal/mol:	-90.94
Dipole, Da:	4.08
IP(EA), eV:	-8.67(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(4-bromophenyl)-cyclopropylmethyl]-6-[(2-methyloxiran-2-yl)methyl]-6-phenyl-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)NC2=NC(=C(S2)C(=O)NC3=C(C=C(C=C3C)C)C)C

DOS

IR

Vibrations