Geometry & MOs

Info

ID:	11404
PubChem CID:	115051
Reduced:	ClO3Br4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	635.75587
ΔH_f, kcal/mol:	-68.27
Dipole, Da:	0.62
IP(EA), eV:	-9.28(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)oxirane;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br.C1C(O1)CCl

DOS

IR

Vibrations