Geometry & MOs

Info

ID:	274205
PubChem CID:	103807713
Reduced:	OSN3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	394.03089
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	2.02
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-methylpentyl)-5-chloro-2-iodo-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N(C)CCC(C(C)C)N

DOS

IR

Vibrations