Geometry & MOs

Info

ID:	229577
PubChem CID:	87568070
Reduced:	SN3O4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	473.175084
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	8.04
IP(EA), eV:	-9.33(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[4-[(Z)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C\C2=CC=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NO)/C4=CC=CS4

DOS

IR

Vibrations