Geometry & MOs

Info

ID:	34823
PubChem CID:	7978973
Reduced:	NSO4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	409.134779
ΔH_f, kcal/mol:	-123.37
Dipole, Da:	2.82
IP(EA), eV:	-9.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-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)C(=O)COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations