Geometry & MOs

Info

ID:	34864
PubChem CID:	7979025
Reduced:	ClSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-8.39
Dipole, Da:	5.71
IP(EA), eV:	-8.76(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-cyanoethyl(methyl)amino]-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

CN(C(=S)NCC1=CC=CC=C1)NC(=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations