Geometry & MOs

Info

ID:	134880
PubChem CID:	51774329
Reduced:	NO2C6H7 (3)
Stoich.:	AB2C6D7 (3)
Weight, g/mol:	374.13521
ΔH_f, kcal/mol:	-143.43
Dipole, Da:	4.83
IP(EA), eV:	-9.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-methylcarbamoyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC=CO1)N(C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations