Geometry & MOs

Info

ID:	378300
PubChem CID:	134224376
Reduced:	ClO4N6C26H29 (1)
Stoich.:	AB4C6D26E29 (1)
Weight, g/mol:	541.204922
ΔH_f, kcal/mol:	-63.67
Dipole, Da:	8.23
IP(EA), eV:	-8.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1CNC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC

DOS

IR

Vibrations