Geometry & MOs

Info

ID:	148927
PubChem CID:	53788597
Reduced:	O5C10H12 (1)
Stoich.:	A5B10C12 (1)
Weight, g/mol:	401.144299
ΔH_f, kcal/mol:	-197.77
Dipole, Da:	3.51
IP(EA), eV:	-10.91(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-2-[(2,2-dimethyl-4-oxocyclopentanecarbonyl)amino]-4-methylsulfanylbutanoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=O)OC1C)C(=O)C

DOS

IR

Vibrations