Geometry & MOs

Info

ID:	378310
PubChem CID:	134224387
Reduced:	O2Cl3N3H6C12 (1)
Stoich.:	A2B3C3D6E12 (1)
Weight, g/mol:	500.141988
ΔH_f, kcal/mol:	-9.53
Dipole, Da:	2.79
IP(EA), eV:	-9.48(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-oxo-2-[2-[[2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C(=O)Cl)NC2=NC(=NC=C2Cl)Cl

DOS

IR

Vibrations