Geometry & MOs

Info

ID:	39475
PubChem CID:	8140923
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	393.05757
ΔH_f, kcal/mol:	-44.1
Dipole, Da:	4.3
IP(EA), eV:	-8.63(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

DOS

IR

Vibrations