Geometry & MOs

Info

ID:	378155
PubChem CID:	134224229
Reduced:	NSF4O4H21C22 (1)
Stoich.:	ABC4D4E21F22 (1)
Weight, g/mol:	507.178565
ΔH_f, kcal/mol:	-292.85
Dipole, Da:	0.99
IP(EA), eV:	-8.79(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=C2C(=C1)OC(=C2C(=C)NC)C3=CC=C(C=C3)F)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations