Geometry & MOs

Info

ID:

215719

PubChem CID:

85085145

Reduced:

S2N14O23C46H76 (1)

Stoich.:

A2B14C23D46E76 (1)

Weight, g/mol:

1258.803419

ΔHf, kcal/mol:

-1119.38

Dipole, Da:

19.18

IP(EA), eV:

 -9.11(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-N-[3-[4-[3-[(3,4-dimethoxyphenyl)methylamino]propyl]piperazin-1-yl]propyl]-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-amine;tetrahydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations