Geometry & MOs

Info

ID:	378167
PubChem CID:	134224241
Reduced:	ClO3N7H20C21 (1)
Stoich.:	AB3C7D20E21 (1)
Weight, g/mol:	464.136366
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	3.19
IP(EA), eV:	-9.01(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-chloro-4-[2-(2-oxo-2-pyrrolidin-1-ylacetyl)anilino]pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)C(=O)N(C)C)Cl

DOS

IR

Vibrations