Geometry & MOs

Info

ID:	431495
PubChem CID:	135171576
Reduced:	BrOF2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	391.086974
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	4.36
IP(EA), eV:	-8.99(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C2=C(C=CC(=C2)Br)OC)F)F

DOS

IR

Vibrations