Geometry & MOs

Info

ID:	320875
PubChem CID:	126664031
Reduced:	ClNO8H32C36 (1)
Stoich.:	ABC8D32E36 (1)
Weight, g/mol:	339.06953
ΔH_f, kcal/mol:	-174.31
Dipole, Da:	5.74
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylcyclopentyl) 3-(iodoamino)-2-methylbutanoate

Drug info:

PubChemData

Smile

COC(C1=CC(=C2C(=C1Cl)CC3C[C@H]4CC(=O)/C(=C(\N)/OCC5=CC=CC=C5)/C(=O)[C@@]46C(=C3C2=O)O6)OCC7=CC=CC=C7)OC

DOS

IR

Vibrations