Geometry & MOs

Info

ID:

188810

PubChem CID:

77769778

Reduced:

NO7C22H26 (2)

Stoich.:

AB7C22D26 (2)

Weight, g/mol:

519.284555

ΔHf, kcal/mol:

-445.31

Dipole, Da:

7.32

IP(EA), eV:

 -8.49(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-1-oxo-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=NCCC3=CC(=C(C=C32)OC)OC)C(=O)N(CCC4=C(C(=C(C=C4)OC)OC)OC)CCC5=C(C(=C(C=C5)OC)OC)OC.C(=O)(C(=O)O)O

DOS

IR

Vibrations