Geometry & MOs

Info

ID:	242890
PubChem CID:	99213642
Reduced:	SN2O3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	433.08887
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	4.05
IP(EA), eV:	-8.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenoxy)-N-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)C)OC[C@@H]4CCCO4

DOS

IR

Vibrations