Geometry & MOs

Info

ID:

223935

PubChem CID:

85335797

Reduced:

O3N6C46H62 (1)

Stoich.:

A3B6C46D62 (1)

Weight, g/mol:

764.363944

ΔHf, kcal/mol:

-119.09

Dipole, Da:

9.12

IP(EA), eV:

 -8.42(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CN(CCCCC(CNC(=O)CC1=CC=CC=C1)N(CC2CCCN2CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC=C6)C(=O)NC7=CC=CC=C7

DOS

IR

Vibrations