Geometry & MOs

Info

ID:	229383
PubChem CID:	87567518
Reduced:	FON2S2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	8.68
Dipole, Da:	4.39
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN=CS4)/C3)S

DOS

IR

Vibrations