Geometry & MOs

Info

ID:	227937
PubChem CID:	87563094
Reduced:	SN2O3F6H18C21 (1)
Stoich.:	AB2C3D6E18F21 (1)
Weight, g/mol:	549.237604
ΔH_f, kcal/mol:	-364.76
Dipole, Da:	1.18
IP(EA), eV:	-9.74(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-[(4-methoxyphenyl)methylamino]-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC(=C(C(=C1)C(F)(F)F)OCC(F)(F)F)C2=CC3=NSN=C3C=C2)C(=O)O

DOS

IR

Vibrations