Geometry & MOs

Info

ID:	312412
PubChem CID:	126604732
Reduced:	O2S2N3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	508.14305
ΔH_f, kcal/mol:	-2.48
Dipole, Da:	2.32
IP(EA), eV:	-8.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[[2-[2-(methylamino)propanoylamino]-4-oxo-1H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)OC2=C3C(=C(S2)C(=O)N)CC/C(=C/N)/C3=S

DOS

IR

Vibrations