Geometry & MOs

Info

ID:

168326

PubChem CID:

74951693

Reduced:

N2O5C30H34 (1)

Stoich.:

A2B5C30D34 (1)

Weight, g/mol:

840.384011

ΔHf, kcal/mol:

-86.74

Dipole, Da:

4.92

IP(EA), eV:

 -8.68(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[2-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C6(CCC3(C2CC7=C4C(=C(C=C7)O)O5)OC6C(=O)NCCC8=CC=CC=C8)O

DOS

IR

Vibrations