Geometry & MOs

Info

ID:	128489
PubChem CID:	51046927
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-139.6
Dipole, Da:	4.94
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(7-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)N(C(=O)CO2)CC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations