Geometry & MOs

Info

ID:	33087
PubChem CID:	7850953
Reduced:	NSO4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	381.121237
ΔH_f, kcal/mol:	-119.91
Dipole, Da:	3.25
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=CC=CC3=CC=CC=C32)C

DOS

IR

Vibrations