Geometry & MOs

Info

ID:	299728
PubChem CID:	117688921
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	462.175933
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	7.12
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-2-[[2-(5-ethylsulfanylpyridin-2-yl)acetyl]amino]-4-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C2=C(CN1)SC(=N2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations