Geometry & MOs

Info

ID:

434877

PubChem CID:

135175904

Reduced:

SF2N7O11C58H65 (1)

Stoich.:

AB2C7D11E58F65 (1)

Weight, g/mol:

536.075321

ΔHf, kcal/mol:

-348.61

Dipole, Da:

3.67

IP(EA), eV:

 -8.07(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(N-[(E)-3-[2-(3,5-dichloro-N-prop-2-enoylanilino)acetyl]oxyprop-2-enoyl]-3,4-dimethoxyanilino)acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCOCCCOCCCOC4=CC5=NC=CC(=C5C=C4OC)OC6=C(C=C(C=C6)NC(=O)C7(CC7)C(=O)NC8=CC=C(C=C8)F)F)O

DOS

IR

Vibrations