Geometry & MOs

Info

ID:	35195
PubChem CID:	7979462
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	396.114378
ΔH_f, kcal/mol:	-127.54
Dipole, Da:	4.8
IP(EA), eV:	-9.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-anilino-2-oxoethyl) (3R,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations