Geometry & MOs

Info

ID:	182523
PubChem CID:	76900632
Reduced:	FSO3N8H25C27 (1)
Stoich.:	ABC3D8E25F27 (1)
Weight, g/mol:	387.181901
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	4.98
IP(EA), eV:	-9.28(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclobutylamino)-3-(3-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazine-6-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC(=NC(=C4C5=CC(=CN=C5)S(=O)(=O)N)C)N

DOS

IR

Vibrations