Geometry & MOs

Info

ID:	244986
PubChem CID:	99431931
Reduced:	SN4O4H24C25 (1)
Stoich.:	AB4C4D24E25 (1)
Weight, g/mol:	422.147786
ΔH_f, kcal/mol:	-68.33
Dipole, Da:	5.5
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-carbonyl]benzoate

Drug info:

PubChemData

Smile

CSC1=NC=CN1C2=CC=CC(=C2)C(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCC(=O)N5

DOS

IR

Vibrations