Geometry & MOs

Info

ID:	335088
PubChem CID:	127253894
Reduced:	N3O5H27C28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-120.0
Dipole, Da:	6.32
IP(EA), eV:	-8.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C2CN([C@@H](CC2=C1)C(=O)N)C(=O)[C@H](C3=CC=CC=C3)N4CC5=CC=CC=C5C4=O)OC

DOS

IR

Vibrations