Geometry & MOs

Info

ID:

326635

PubChem CID:

126687925

Reduced:

N7O11C49H77 (1)

Stoich.:

A7B11C49D77 (1)

Weight, g/mol:

379.114376

ΔHf, kcal/mol:

-529.36

Dipole, Da:

4.86

IP(EA), eV:

 -8.96(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[C-[(Z)-2-aminoethenyl]-N-(2,2,2-trifluoroethyl)carbonimidoyl]pyridin-3-yl]methoxy]-6-hydroxybenzaldehyde

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=CC(=CC[C@@H]3O)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)N[C@@H](C)CO

DOS

IR

Vibrations