Geometry & MOs

Info

ID:

223154

PubChem CID:

85334606

Reduced:

SN14O17C54H96 (1)

Stoich.:

AB14C17D54E96 (1)

Weight, g/mol:

1244.691092

ΔHf, kcal/mol:

-753.16

Dipole, Da:

7.58

IP(EA), eV:

 -7.84(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[4-amino-2-[[5-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCCN)N

DOS

IR

Vibrations