Geometry & MOs

Info

ID:

224141

PubChem CID:

85338649

Reduced:

CuS2N7O8C26H45 (1)

Stoich.:

AB2C7D8E26F45 (1)

Weight, g/mol:

714.391205

ΔHf, kcal/mol:

-364.14

Dipole, Da:

3.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759981

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CS)C(=O)O)NC(=O)C(CS)N.[Cu+2]

DOS

IR

Vibrations