Geometry & MOs

Info

ID:

449957

PubChem CID:

135302812

Reduced:

SN4O4C11H22 (1)

Stoich.:

AB4C4D11E22 (1)

Weight, g/mol:

802.429899

ΔHf, kcal/mol:

-180.13

Dipole, Da:

3.98

IP(EA), eV:

 -8.94(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[(2R)-2-[3-[2-[2-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C(CCC(=O)NCC(=O)NCCOC(=O)NN)CCS

DOS

IR

Vibrations