Geometry & MOs

Info

ID:	152326
PubChem CID:	56311240
Reduced:	N3O3C23H35 (1)
Stoich.:	A3B3C23D35 (1)
Weight, g/mol:	433.156848
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	4.95
IP(EA), eV:	-8.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-chloro-2-fluoroanilino)-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)NCC3CCCCC3

DOS

IR

Vibrations