Geometry & MOs

Info

ID:	302135
PubChem CID:	124349660
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	459.146407
ΔH_f, kcal/mol:	-120.86
Dipole, Da:	0.81
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(5S)-2-[(2-methylfuran-3-carbonyl)amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)C

DOS

IR

Vibrations