Geometry & MOs

Info

ID:

223122

PubChem CID:

85334536

Reduced:

N7O18C60H77 (1)

Stoich.:

A7B18C60D77 (1)

Weight, g/mol:

1183.693809

ΔHf, kcal/mol:

-775.84

Dipole, Da:

10.36

IP(EA), eV:

 -8.84(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)C(CC(C)C)NC(=O)C(CCC6=CC=CC=C6)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C7CCCN7C(=O)CNC(=O)C)O

DOS

IR

Vibrations