Geometry & MOs

Info

ID:	229319
PubChem CID:	87567404
Reduced:	OSCl2N3C27H31 (1)
Stoich.:	ABC2D3E27F31 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-0.34
Dipole, Da:	3.12
IP(EA), eV:	-8.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC/C=C\C1=CC=C(S1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)CNC(=O)C4CCCCC4)C

DOS

IR

Vibrations