Geometry & MOs

Info

ID:	195381
PubChem CID:	78680010
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	375.10665
ΔH_f, kcal/mol:	78.53
Dipole, Da:	7.7
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1N=CC2=CC=C(S2)C3=CC=CC=C3)C#N)C

DOS

IR

Vibrations