Geometry & MOs

Info

ID:	60706
PubChem CID:	26697457
Reduced:	N2S2O4C17H26 (1)
Stoich.:	A2B2C4D17E26 (1)
Weight, g/mol:	321.132471
ΔH_f, kcal/mol:	-160.66
Dipole, Da:	4.46
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopentylamino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCSC)C(=O)NC2CCCC2

DOS

IR

Vibrations