Geometry & MOs

Info

ID:

315209

PubChem CID:

126625010

Reduced:

N4O4C23H25 (2)

Stoich.:

A4B4C23D25 (2)

Weight, g/mol:

546.290094

ΔHf, kcal/mol:

-185.58

Dipole, Da:

4.8

IP(EA), eV:

 -8.14(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-5-[3-[3-amino-3-(3-methylbut-3-enoxy)butoxy]propanoylamino]-1-carboxypentyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1(C(=O)C(=C(N1C2=CC(=CC(=C2)OCOCCC3(C(=O)C(=C(N3C4=CC(=CC(=C4)OC)OC)NC)C5=NC6=CC=CC=C6N5)C)OC)N)C7=NC8=CC=CC=C8N7)CCOC

DOS

IR

Vibrations