Geometry & MOs

Info

ID:

215742

PubChem CID:

85085174

Reduced:

SO17N19C55H89 (1)

Stoich.:

AB17C19D55E89 (1)

Weight, g/mol:

1339.855304

ΔHf, kcal/mol:

-765.99

Dipole, Da:

2.96

IP(EA), eV:

 -8.87(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-4-(2-methylphenyl)sulfanylbutyl] acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C4CCCN4C(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCSC)N

DOS

IR

Vibrations