Geometry & MOs

Info

ID:	194254
PubChem CID:	78503674
Reduced:	BrSN2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-10.72
Dipole, Da:	5.8
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)COC1=CC=C(C=C1)C(C)(C)C)C2=CC=C(S2)Br

DOS

IR

Vibrations