Geometry & MOs

Info

ID:

176089

PubChem CID:

75994137

Reduced:

NO3C28H41 (1)

Stoich.:

AB3C28D41 (1)

Weight, g/mol:

932.444215

ΔHf, kcal/mol:

-108.19

Dipole, Da:

4.95

IP(EA), eV:

 -8.2(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

3-(3,5-dichlorophenyl)-3-[[3-[[5-[[5-[(2-methyl-3-oxidoiminobutan-2-yl)amino]-3-[2-[(2-methyl-3-oxidoiminobutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]-2-[5-(pyridin-2-ylamino)pentanoylamino]propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCC=CCC=CCC=CCC=CCCCC(=O)NC(C)CC1=CC(=C(C=C1)OC)O

DOS

IR

Vibrations