Geometry & MOs

Info

ID:

431459

PubChem CID:

135171540

Reduced:

N2H31C39 (2)

Stoich.:

A2B31C39 (2)

Weight, g/mol:

389.132174

ΔHf, kcal/mol:

270.47

Dipole, Da:

2.29

IP(EA), eV:

 -7.5(-0.34)

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-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)C6=C(C=CC=C62)C7=CC=CC=C7C8=CC=CC=C8C9=C1C(=CC=C9)N(C2=C1C=C(C=C2)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C

DOS

IR

Vibrations