Geometry & MOs

Info

ID:	378194
PubChem CID:	134224270
Reduced:	O3N7H21C22 (1)
Stoich.:	A3B7C21D22 (1)
Weight, g/mol:	473.117857
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	8.57
IP(EA), eV:	-8.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1NC2=CC=CC=C2C(=O)C(=O)N(C)C)NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations