Geometry & MOs

Info

ID:	244650
PubChem CID:	99376207
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	469.188272
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	8.69
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2S)-2-[(3S)-3-(butanoylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]sulfonylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations