Geometry & MOs

Info

ID:	189729
PubChem CID:	77896320
Reduced:	FCl2O4N5C27H30 (1)
Stoich.:	AB2C4D5E27F30 (1)
Weight, g/mol:	480.204052
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	8.19
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-amino-2-methylanilino)-5-methylpyrimidin-4-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CNCC1=C(C=C(C=C1)C2CNNC2C3=CNC(=C3)C(=O)NC(CO)C4=CC(=C(C=C4)F)Cl)Cl

DOS

IR

Vibrations