Geometry & MOs

Info

ID:	273163
PubChem CID:	103770606
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	315.098584
ΔH_f, kcal/mol:	-54.07
Dipole, Da:	2.2
IP(EA), eV:	-9.91(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-ethyl-2-hydroxypentyl)-3-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=CSN=N1)O

DOS

IR

Vibrations