Geometry & MOs

Info

ID:	38639
PubChem CID:	8137317
Reduced:	F2N3O5H11C17 (1)
Stoich.:	A2B3C5D11E17 (1)
Weight, g/mol:	339.105291
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	4.88
IP(EA), eV:	-10.45(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations