Geometry & MOs

Info

ID:

164042

PubChem CID:

74381608

Reduced:

SN3O12C20H33 (1)

Stoich.:

AB3C12D20E33 (1)

Weight, g/mol:

1094.63171

ΔHf, kcal/mol:

-532.98

Dipole, Da:

7.54

IP(EA), eV:

 -9.85(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N,6-N-bis[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]naphthalene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C(CC(=O)NC(CSCC=CCOC1C(C(C(C(O1)CO)O)O)O)C(=O)NCC(=O)O)C(C(=O)O)N

DOS

IR

Vibrations