Geometry & MOs

Info

ID:

176513

PubChem CID:

76061784

Reduced:

ClN2O2C32H37 (1)

Stoich.:

AB2C2D32E37 (1)

Weight, g/mol:

776.454474

ΔHf, kcal/mol:

-60.91

Dipole, Da:

10.86

IP(EA), eV:

 -8.56(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)N(C)C4=CC=CC=C4)CN(C5=CC(=O)CCC35C)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations