Geometry & MOs

Info

ID:	34975
PubChem CID:	7979154
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-124.87
Dipole, Da:	7.1
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-anilino-1-oxopropan-2-yl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations