Geometry & MOs

Info

ID:

311261

PubChem CID:

126590097

Reduced:

N5O8C31H43 (1)

Stoich.:

A5B8C31D43 (1)

Weight, g/mol:

557.17329

ΔHf, kcal/mol:

-318.67

Dipole, Da:

2.56

IP(EA), eV:

 -8.37(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-methylphenyl]-N'-(2-methoxyphenyl)propanediamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1/C=C(\CNCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)/C=C\C=C/N

DOS

IR

Vibrations