Geometry & MOs

Info

ID:

168778

PubChem CID:

75018189

Reduced:

NO5C37H55 (1)

Stoich.:

AB5C37D55 (1)

Weight, g/mol:

570.302664

ΔHf, kcal/mol:

-205.59

Dipole, Da:

3.64

IP(EA), eV:

 -8.22(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-(1-amino-1-oxopropan-2-yl)-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)N1CC2=CC(=C(C=C2CC1C3=CC(=C(C=C3)OC)OC)OC)OC

DOS

IR

Vibrations