Geometry & MOs

Info

ID:

223127

PubChem CID:

85334546

Reduced:

N13O20C51H79 (1)

Stoich.:

A13B20C51D79 (1)

Weight, g/mol:

1193.707334

ΔHf, kcal/mol:

-957.69

Dipole, Da:

7.86

IP(EA), eV:

 -9.57(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)O)NC(=O)C(C)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations