Geometry & MOs

Info

ID:	378302
PubChem CID:	134224378
Reduced:	FON2H7C8 (3)
Stoich.:	ABC2D7E8 (3)
Weight, g/mol:	512.178373
ΔH_f, kcal/mol:	-184.77
Dipole, Da:	4.86
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-oxo-2-[2-[[2-[4-(2-oxopyrrolidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4

DOS

IR

Vibrations