Geometry & MOs

Info

ID:	150637
PubChem CID:	53790330
Reduced:	Cl2N3O4H15C21 (1)
Stoich.:	A2B3C4D15E21 (1)
Weight, g/mol:	413.92892
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	9.95
IP(EA), eV:	-9.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2-phenylpropyl) 3,5-dibromobenzoate

Drug info:

PubChemData

Smile

C1CN2C(=NC3=C(C2=O)C=CC(=C3)NC(=O)CC(=O)O)C1=CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations