Geometry & MOs

Info

ID:

431491

PubChem CID:

135171572

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

403.147824

ΔHf, kcal/mol:

163.04

Dipole, Da:

2.01

IP(EA), eV:

 -8.14(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(Z)-2-aminoethenyl]-N-(2-ethoxy-5-fluoropyridin-3-yl)sulfanyl-N,3-dimethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)OC9=C8C=C1C(=C9)C3=CC=CC=C3O1)C1=CC=CC=C12

DOS

IR

Vibrations