Geometry & MOs

Info

ID:	273144
PubChem CID:	103770570
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	314.103335
ΔH_f, kcal/mol:	-87.41
Dipole, Da:	4.17
IP(EA), eV:	-9.24(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-ethyl-2-hydroxypentyl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)/C=C/C1=CC=C(S1)C)O

DOS

IR

Vibrations