Geometry & MOs

Info

ID:

326595

PubChem CID:

126687848

Reduced:

N7O11C57H83 (1)

Stoich.:

A7B11C57D83 (1)

Weight, g/mol:

577.383934

ΔHf, kcal/mol:

-460.61

Dipole, Da:

7.06

IP(EA), eV:

 -8.6(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-amino-2-[[(2S)-2-amino-2-[[(2R)-2-(hexadecanoylamino)-3-phenylmethoxypropanoyl]amino]acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](COCC1=CC=CC=C1)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]2C3=CC(=C(C=C3)OC)C4=C(C=CC(=C4)CCC[C@H](NC(=O)[C@@H](NC2=O)C)C(=O)OC)OC)N

DOS

IR

Vibrations