Geometry & MOs

Info

ID:	49469
PubChem CID:	11533063
Reduced:	SO4N8C20H30 (1)
Stoich.:	AB4C8D20E30 (1)
Weight, g/mol:	478.159614
ΔH_f, kcal/mol:	-96.46
Dipole, Da:	5.61
IP(EA), eV:	-8.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]amino]-5-methyl-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C2=NC(=CN=C2)/C(=N\NC(=S)N3CCC4(CC3)OCCO4)/N

DOS

IR

Vibrations