Geometry & MOs

Info

ID:	38211
PubChem CID:	8028054
Reduced:	NO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	396.081364
ΔH_f, kcal/mol:	-163.17
Dipole, Da:	5.93
IP(EA), eV:	-9.17(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3aS,6aS)-3-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC[C@@H](C3=CC=CC=C3)O)C

DOS

IR

Vibrations