Geometry & MOs

Info

ID:

187669

PubChem CID:

77606701

Reduced:

FN4O4C27H29 (1)

Stoich.:

AB4C4D27E29 (1)

Weight, g/mol:

719.168032

ΔHf, kcal/mol:

-110.79

Dipole, Da:

1.86

IP(EA), eV:

 -8.76(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[amino(isoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetyl]amino]-3-(3-aminophenyl)propanoic acid;2,2,2-trichloroacetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC(CCN)C3=CC=C(C=C3)C4CNNC4)F

DOS

IR

Vibrations