Geometry & MOs

Info

ID:	378192
PubChem CID:	134224268
Reduced:	O3N6C23H24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	474.101873
ΔH_f, kcal/mol:	-19.25
Dipole, Da:	5.73
IP(EA), eV:	-7.99(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(2,2-difluoro-3H-1,3-benzoxazol-6-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)NCCO4

DOS

IR

Vibrations