Geometry & MOs

Info

ID:	56526
PubChem CID:	17436110
Reduced:	BrSN3O5C18H20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-160.57
Dipole, Da:	6.85
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]-N-ethylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC(=O)NC1=CC=CC=C1Br)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations