Geometry & MOs

Info

ID:	229552
PubChem CID:	87568004
Reduced:	NSF3O5C14H14 (1)
Stoich.:	ABC3D5E14F14 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-247.56
Dipole, Da:	2.4
IP(EA), eV:	-9.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=CC[C@H]([C@@H](C1)[N+](=O)[O-])C2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations