Geometry & MOs

Info

ID:	152125
PubChem CID:	56310987
Reduced:	F2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-183.1
Dipole, Da:	8.24
IP(EA), eV:	-8.97(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-acetylanilino)-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(=C(C=C3)F)F

DOS

IR

Vibrations