Geometry & MOs

Info

ID:	34806
PubChem CID:	7978955
Reduced:	S2N3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-32.18
Dipole, Da:	10.39
IP(EA), eV:	-8.36(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] (3R,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)CSC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations