Geometry & MOs

Info

ID:	38695
PubChem CID:	8137762
Reduced:	NSO3H23C25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	328.122321
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	3.71
IP(EA), eV:	-9.11(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)[C@@H](C3=CC=CC=C3)SC4=CC=CC=C4

DOS

IR

Vibrations