Geometry & MOs

Info

ID:	431435
PubChem CID:	135171515
Reduced:	NH12C18 (2)
Stoich.:	AB12C18 (2)
Weight, g/mol:	374.121275
ΔH_f, kcal/mol:	153.78
Dipole, Da:	1.42
IP(EA), eV:	-8.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(C=C2)NC4=CC=CC=C43)C5=CC=CC=C5C6=CC7=C(C=C6)NC8=CC=CC=C87

DOS

IR

Vibrations