Geometry & MOs

Info

ID:

164060

PubChem CID:

74381709

Reduced:

ClNSO4H24C26 (1)

Stoich.:

ABCD4E24F26 (1)

Weight, g/mol:

992.573526

ΔHf, kcal/mol:

-113.82

Dipole, Da:

4.7

IP(EA), eV:

 -9.04(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-[1-[2-[(2-amino-3-hydroxypropanoyl)amino]-3,3-dimethylbutanoyl]-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)pyrrolidin-3-yl]oxyhexa-2,4-diynoxy]-1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1C(=O)C(C(C2=CC=C(C=C2)Cl)O)C(C3=CC=CC=C3)S)C4=CC=CC=C4

DOS

IR

Vibrations