Geometry & MOs

Info

ID:

180912

PubChem CID:

76703024

Reduced:

SN4O5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

1194.571829

ΔHf, kcal/mol:

-191.88

Dipole, Da:

7.55

IP(EA), eV:

 -9.16(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]-N-[2-[2-[2-[[5-[[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]-4-phenyl-1,3-thiazole-2-carbonyl]amino]ethoxy]ethoxy]ethyl]-4-phenyl-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=C(S3)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations