Geometry & MOs

Info

ID:	378318
PubChem CID:	134224395
Reduced:	ClO4N6H19C22 (1)
Stoich.:	AB4C6D19E22 (1)
Weight, g/mol:	500.141988
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	4.07
IP(EA), eV:	-8.59(-1.29)
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-7-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations