Geometry & MOs

Info

ID:

176285

PubChem CID:

76026250

Reduced:

SN4O12C47H76 (1)

Stoich.:

AB4C12D47E76 (1)

Weight, g/mol:

784.436624

ΔHf, kcal/mol:

-611.68

Dipole, Da:

4.81

IP(EA), eV:

 -8.8(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-methyl-3-[3-oxo-2-(2-sulfoethylcarbamoyl)-3-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]propyl]sulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(C(=O)C2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)CCOC(=O)CNCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C

DOS

IR

Vibrations