Geometry & MOs

Info

ID:	327396
PubChem CID:	126689788
Reduced:	FS2O4N6C25H29 (1)
Stoich.:	AB2C4D6E25F29 (1)
Weight, g/mol:	376.148159
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	1.35
IP(EA), eV:	-8.83(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-3-methyl-1,2,3,4-tetrahydro-1,2,4-triazin-5-yl]propanamide

Drug info:

PubChemData

Smile

CN(C1=C(N=C2N1N=C(C=C2)C3CCN(CC3)S(=O)(=O)C)CCC(O)O)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations