Geometry & MOs

Info

ID:	81745
PubChem CID:	49855082
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	467.083031
ΔH_f, kcal/mol:	9.55
Dipole, Da:	5.97
IP(EA), eV:	-9.15(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-(4-fluoro-2-methoxyanilino)pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC2C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CCC4=CC=CC=C4

DOS

IR

Vibrations