Geometry & MOs

Info

ID:	180268
PubChem CID:	76607458
Reduced:	ClFO3N5C25H29 (1)
Stoich.:	ABC3D5E25F29 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-99.12
Dipole, Da:	1.96
IP(EA), eV:	-8.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[6-(hydroxyamino)-6-oxohexyl]amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)OC2=C(C=C3C(=C2)N=CN=C3NC4=C(C(=CC=C4)Cl)F)OC)N(C)C

DOS

IR

Vibrations