Geometry & MOs

Info

ID:	244264
PubChem CID:	99319620
Reduced:	SN3O4H17C19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	427.093498
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	5.58
IP(EA), eV:	-9.62(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloro-4-nitrophenyl)-N-[2-[(2-phenylacetyl)amino]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NCCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations