Geometry & MOs

Info

ID:

447725

PubChem CID:

135285137

Reduced:

N6O15C56H98 (1)

Stoich.:

A6B15C56D98 (1)

Weight, g/mol:

498.403273

ΔHf, kcal/mol:

-822.47

Dipole, Da:

7.84

IP(EA), eV:

 -9.06(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[[6-amino-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]amino]-18-oxooctadecanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCN(CCCCN(CCCNC(=O)CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations