Geometry & MOs

Info

ID:	64117
PubChem CID:	29196222
Reduced:	SF2N3O3H23C25 (1)
Stoich.:	AB2C3D3E23F25 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-145.55
Dipole, Da:	2.67
IP(EA), eV:	-8.6(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-5-nitro-N-pentylbenzamide

Drug info:

PubChemData

Smile

COCCCN1C(=O)[C@H](SC1=NC2=CC=CC3=CC=CC=C32)CC(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations