Geometry & MOs

Info

ID:	35244
PubChem CID:	7979570
Reduced:	ClN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	-118.49
Dipole, Da:	5.69
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxyphenyl)methyl (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations