Geometry & MOs

Info

ID:	296995
PubChem CID:	117605222
Reduced:	NO2C7H9 (3)
Stoich.:	AB2C7D9 (3)
Weight, g/mol:	464.93955
ΔH_f, kcal/mol:	-258.9
Dipole, Da:	6.03
IP(EA), eV:	-9.17(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dichlorophenyl)-3-hydroxy-3-(3-iodophenyl)propyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N2[C@@H](CC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations