Geometry & MOs

Info

ID:	153014
PubChem CID:	56312129
Reduced:	F2N3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	432.273656
ΔH_f, kcal/mol:	-195.66
Dipole, Da:	7.72
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-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)CCC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations