Geometry & MOs

Info

ID:	431488
PubChem CID:	135171569
Reduced:	BrF2O2H15C20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	389.132174
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	4.51
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2=CC=CC=C2F)C3=C(C=CC(=C3)Br)F)OC

DOS

IR

Vibrations