Geometry & MOs

Info

ID:	34713
PubChem CID:	7978856
Reduced:	NSO4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	-134.26
Dipole, Da:	4.63
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (3S,7aR)-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=C1C)C(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations