Geometry & MOs

Info

ID:

215753

PubChem CID:

85085200

Reduced:

S2N17O17C60H105 (1)

Stoich.:

A2B17C17D60E105 (1)

Weight, g/mol:

1411.683515

ΔHf, kcal/mol:

-875.38

Dipole, Da:

8.41

IP(EA), eV:

 -9.1(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[4-[[4-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl]amino]hexyl]amino]-4-oxobutanoyl]amino]butylamino]-2-oxoethyl]-7,10-bis[[hydroxy(methyl)phosphoryl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl-methylphosphinic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CS)N

DOS

IR

Vibrations