Geometry & MOs

Info

ID:	61648
PubChem CID:	26711387
Reduced:	N3O6C23H23 (1)
Stoich.:	A3B6C23D23 (1)
Weight, g/mol:	457.163771
ΔH_f, kcal/mol:	-148.69
Dipole, Da:	6.28
IP(EA), eV:	-8.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)NC3=CN=C(C=C3)OC)OC

DOS

IR

Vibrations