Geometry & MOs

Info

ID:	310229
PubChem CID:	126577044
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	504.186498
ΔH_f, kcal/mol:	-96.3
Dipole, Da:	6.74
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-morpholin-4-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations