Geometry & MOs

Info

ID:	299823
PubChem CID:	117695774
Reduced:	O2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	450.091725
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	6.0
IP(EA), eV:	-9.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(2-chlorophenyl)imidazol-2-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl]-3-methylurea

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(=O)OC1)C=C

DOS

IR

Vibrations