Geometry & MOs

Info

ID:	233594
PubChem CID:	91145560
Reduced:	SN2O8C41H44 (1)
Stoich.:	AB2C8D41E44 (1)
Weight, g/mol:	314.141262
ΔH_f, kcal/mol:	-252.97
Dipole, Da:	3.7
IP(EA), eV:	-8.44(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(methylamino)-2-oxoethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=C(C=C1)C(C(C(=O)N2C(COC2=O)C3=CC=CC=C3)SCC4(OCC(CO4)(C)C)C5=CC=CC=C5)NC6=CC=CC=C6

DOS

IR

Vibrations