Geometry & MOs

Info

ID:

310237

PubChem CID:

126577115

Reduced:

S2O3N4C23H30 (1)

Stoich.:

A2B3C4D23E30 (1)

Weight, g/mol:

558.233448

ΔHf, kcal/mol:

-104.39

Dipole, Da:

0.96

IP(EA), eV:

 -8.45(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[(3-acetyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]methyl]-2-pyrrolidin-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=C(SC4=C3CCNC4)N5CCOCC5

DOS

IR

Vibrations