Geometry & MOs

Info

ID:	34886
PubChem CID:	7979053
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	4.81
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-2-oxoethyl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations