Geometry & MOs

Info

ID:

178804

PubChem CID:

76384196

Reduced:

SN3O3C20H31 (1)

Stoich.:

AB3C3D20E31 (1)

Weight, g/mol:

884.457159

ΔHf, kcal/mol:

-116.5

Dipole, Da:

1.7

IP(EA), eV:

 -8.55(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]oxyacetyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl 1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(CN1CCCC1)NC(=O)C2(CC2)C3=CC(=CC=C3)NS(=O)(=O)C

DOS

IR

Vibrations