Geometry & MOs

Info

ID:	61779
PubChem CID:	26712885
Reduced:	BrClSN3O3H17C20 (1)
Stoich.:	ABCD3E3F17G20 (1)
Weight, g/mol:	434.08412
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	2.76
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxy-4-propoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations