Geometry & MOs

Info

ID:

302137

PubChem CID:

124349668

Reduced:

SN3O6C22H25 (1)

Stoich.:

AB3C6D22E25 (1)

Weight, g/mol:

459.146407

ΔHf, kcal/mol:

-211.95

Dipole, Da:

7.35

IP(EA), eV:

 -9.16(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3S)-1-[(5R)-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)C(=O)[C@@H]2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=C(OC=C4)C

DOS

IR

Vibrations