Geometry & MOs

Info

ID:	398047
PubChem CID:	135031477
Reduced:	SCl2O3N4C21H24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	224.08373
ΔH_f, kcal/mol:	-69.2
Dipole, Da:	7.82
IP(EA), eV:	-9.53(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxybenzo[b][1]benzoxepine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(CC=C)N(C3=NC(=CC(=N3)Cl)Cl)C(=O)C

DOS

IR

Vibrations