Geometry & MOs

Info

ID:

223246

PubChem CID:

85334741

Reduced:

N19O19C58H97 (1)

Stoich.:

A19B19C58D97 (1)

Weight, g/mol:

1363.764592

ΔHf, kcal/mol:

-934.14

Dipole, Da:

13.06

IP(EA), eV:

 -9.45(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CCCCN)N

DOS

IR

Vibrations