Geometry & MOs

Info

ID:

170380

PubChem CID:

75225221

Reduced:

N5C43H61 (1)

Stoich.:

A5B43C61 (1)

Weight, g/mol:

808.455536

ΔHf, kcal/mol:

44.32

Dipole, Da:

2.57

IP(EA), eV:

 -8.26(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-hydroxybutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCN(CC2CC3=CC=CC=C3)C(CC4=CC=CC=C4)CN5CCCC5CN6CCNCC6CC7=CC=CC=C7

DOS

IR

Vibrations