Geometry & MOs

Info

ID:	306769
PubChem CID:	125240954
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	351.179421
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	3.46
IP(EA), eV:	-9.15(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,8aS)-5-(2-ethoxyacetyl)-2-(1,3-oxazol-5-ylmethyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

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COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](O1)CCN2CC3=CC=CS3

DOS

IR

Vibrations