Geometry & MOs

Info

ID:	378291
PubChem CID:	134224367
Reduced:	FPSN4O7C20H22 (1)
Stoich.:	ABCD4E7F20G22 (1)
Weight, g/mol:	352.049381
ΔH_f, kcal/mol:	-291.06
Dipole, Da:	6.29
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(2,5-dichloropyrimidin-4-yl)amino]methyl]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC#C)NP(=O)(OC[C@@H]1O[C@@H](CS1)N2C=C(C(=NC2=O)N)F)OC3=CC=CC=C3

DOS

IR

Vibrations