Geometry & MOs

Info

ID:	34877
PubChem CID:	7979043
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-27.79
Dipole, Da:	9.33
IP(EA), eV:	-8.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylbutylamino)-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

CN(C(=S)NCC1=CC=CC=C1)NC(=O)/C=C/C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations