Geometry & MOs

Info

ID:	378161
PubChem CID:	134224235
Reduced:	ClO2N7H22C23 (1)
Stoich.:	AB2C7D22E23 (1)
Weight, g/mol:	472.122608
ΔH_f, kcal/mol:	34.93
Dipole, Da:	10.08
IP(EA), eV:	-8.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(3,3-difluoro-1,2-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)C(=O)N(C)C)Cl

DOS

IR

Vibrations