Geometry & MOs

Info

ID:	153017
PubChem CID:	56312132
Reduced:	F3N3O3C23H26 (1)
Stoich.:	A3B3C3D23E26 (1)
Weight, g/mol:	445.176834
ΔH_f, kcal/mol:	-252.23
Dipole, Da:	3.87
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations