Geometry & MOs

Info

ID:	163321
PubChem CID:	57741303
Reduced:	N6O7C31H32 (1)
Stoich.:	A6B7C31D32 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-173.12
Dipole, Da:	2.79
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-(3,3-dimethyl-4-oxo-2,5-dihydropyrido[3,2-b][1,4]oxazepin-8-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)C)NC2=NC=NN3C2=C(C(=C3)C(=O)N(C4CC4)C(=O)OCOC(=O)C5=CC=C(C=C5)O)C

DOS

IR

Vibrations