Geometry & MOs

Info

ID:	245484
PubChem CID:	99445225
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	487.123563
ΔH_f, kcal/mol:	16.61
Dipole, Da:	5.31
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanoate

Drug info:

PubChemData

Smile

CCN([C@H](C)COC)C(=O)/C=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations