Geometry & MOs

Info

ID:

177247

PubChem CID:

76153329

Reduced:

SO11N15C57H81 (1)

Stoich.:

AB11C15D57E81 (1)

Weight, g/mol:

395.205636

ΔHf, kcal/mol:

-299.27

Dipole, Da:

8.93

IP(EA), eV:

 -9.01(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[[1-carboxy-2-(4-ethyl-1,3-oxazol-2-yl)ethyl]carbamoyl]cyclopentyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)CCCCCCN3C=C(N=N3)CCCCC(=O)NCCNC(=O)COC4=CC=C(C=C4)CCCN5C6=C(C=N5)C7=NC(=NN7C(=N6)N)C8=CC=CO8)NC(=O)N2

DOS

IR

Vibrations