Geometry & MOs

Info

ID:

190802

PubChem CID:

78059373

Reduced:

N4O10C27H36 (1)

Stoich.:

A4B10C27D36 (1)

Weight, g/mol:

869.256287

ΔHf, kcal/mol:

-435.86

Dipole, Da:

11.49

IP(EA), eV:

 -9.41(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-carboxy-2-[4-[[3-[[4-[[3-carboxy-1-(1,3-dicarboxypropylamino)-1-oxopropan-2-yl]amino]-4-oxobutyl]carbamoyl]-5-nitrobenzoyl]amino]butanoylamino]propanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N(C1=O)C(CCC(=O)O)C(=O)O)C(CCCCNC(=O)NCC2=CC=CC=C2)C(=O)O)CC

DOS

IR

Vibrations