Geometry & MOs

Info

ID:

431379

PubChem CID:

135171454

Reduced:

ClO4N6H33C34 (1)

Stoich.:

AB4C6D33E34 (1)

Weight, g/mol:

404.13184

ΔHf, kcal/mol:

-63.61

Dipole, Da:

11.44

IP(EA), eV:

 -8.74(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-2-aminoethenyl]-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfanyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC=C(C=C2)CN3CCOC3=O)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)CN6CCCC6)Cl

DOS

IR

Vibrations