Geometry & MOs

Info

ID:	187988
PubChem CID:	77651342
Reduced:	ClNO5C18H30 (1)
Stoich.:	ABC5D18E30 (1)
Weight, g/mol:	430.229014
ΔH_f, kcal/mol:	-273.73
Dipole, Da:	8.22
IP(EA), eV:	-10.03(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-pyrrol-1-ylpropyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCNC(=O)OCC1C(CC(C1CC=CCCCC(=O)O)Cl)O

DOS

IR

Vibrations