Geometry & MOs

Info

ID:	35010
PubChem CID:	7979191
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	409.134779
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	4.67
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-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

CC1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations