Geometry & MOs

Info

ID:	378316
PubChem CID:	134224393
Reduced:	ClO3N6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	493.162915
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	7.27
IP(EA), eV:	-8.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-[4-(3-amino-2-oxopyrrolidin-1-yl)anilino]-5-chloropyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(C=C3)OCCN4

DOS

IR

Vibrations