Geometry & MOs

Info

ID:	78757
PubChem CID:	49718185
Reduced:	N3O5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-125.78
Dipole, Da:	4.33
IP(EA), eV:	-9.73(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-hydroxycyclopentyl)methyl]-N'-(3-methylsulfanylphenyl)oxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)C(=O)NC2=CC=CC=C2[N+](=O)[O-])O

DOS

IR

Vibrations