Geometry & MOs

Info

ID:	323628
PubChem CID:	126675616
Reduced:	SF2N3O6C28H31 (1)
Stoich.:	AB2C3D6E28F31 (1)
Weight, g/mol:	422.254258
ΔH_f, kcal/mol:	-290.63
Dipole, Da:	8.66
IP(EA), eV:	-9.36(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propyl]-4-[[4-[(2,3,6-triaminopyridin-4-yl)methyl]pyrazol-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCC(CC4)(F)F)C(=O)NC5(CC5)N)CS(=O)(=O)C

DOS

IR

Vibrations