Geometry & MOs

Info

ID:	35190
PubChem CID:	7979455
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-113.79
Dipole, Da:	4.43
IP(EA), eV:	-8.83(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylanilino)-2-oxoethyl] (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)CSCC(=O)NC2=CC=CC(=C2)C

DOS

IR

Vibrations