Geometry & MOs

Info

ID:	431463
PubChem CID:	135171544
Reduced:	ClO2H9C18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	377.071324
ΔH_f, kcal/mol:	11.63
Dipole, Da:	2.16
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3O2)C5=C(O4)C=CC(=C5)Cl

DOS

IR

Vibrations