Geometry & MOs

Info

ID:	61200
PubChem CID:	26707013
Reduced:	SN2O7C23H28 (1)
Stoich.:	AB2C7D23E28 (1)
Weight, g/mol:	442.95547
ΔH_f, kcal/mol:	-226.25
Dipole, Da:	9.94
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)/C=C/C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations