Geometry & MOs

Info

ID:	245641
PubChem CID:	99455732
Reduced:	BrN3O3C20H28 (1)
Stoich.:	AB3C3D20E28 (1)
Weight, g/mol:	395.161184
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	2.15
IP(EA), eV:	-9.0(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations