Geometry & MOs

Info

ID:	132389
PubChem CID:	51354378
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	480.254812
ΔH_f, kcal/mol:	9.41
Dipole, Da:	4.41
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2,2-difluoroacetyl)amino]ethyl]-2,2,7-trimethyl-3-oxo-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)C(=O)/C=C/C2=CC=C(C=C2)Cl)C)C

DOS

IR

Vibrations