Geometry & MOs

Info

ID:	378309
PubChem CID:	134224386
Reduced:	O2F3N7H18C22 (1)
Stoich.:	A2B3C7D18E22 (1)
Weight, g/mol:	328.95256
ΔH_f, kcal/mol:	-108.15
Dipole, Da:	7.39
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2,5-dichloropyrimidin-4-yl)amino]phenyl]-2-oxoacetyl chloride

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=CN=C4C(=C3)C=CN4

DOS

IR

Vibrations