Geometry & MOs

Info

ID:

224188

PubChem CID:

85339839

Reduced:

N18O19C53H84 (1)

Stoich.:

A18B19C53D84 (1)

Weight, g/mol:

1284.494401

ΔHf, kcal/mol:

-836.72

Dipole, Da:

12.21

IP(EA), eV:

 -9.17(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-4-oxobutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]propanoylamino]acetyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)N

DOS

IR

Vibrations