Geometry & MOs

Info

ID:	80212
PubChem CID:	49833596
Reduced:	ClN2O5H25C27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	560.183985
ΔH_f, kcal/mol:	-136.42
Dipole, Da:	2.49
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[4-[5-[2-[(2-chlorophenyl)methyl]-3H-benzimidazol-5-yl]-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)OCC(CO)O)C(=O)OC5=CC=CC=C5

DOS

IR

Vibrations