Geometry & MOs

Info

ID:	62059
PubChem CID:	26717310
Reduced:	BrSN3O3H16C21 (1)
Stoich.:	ABC3D3E16F21 (1)
Weight, g/mol:	416.069448
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	5.39
IP(EA), eV:	-9.45(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(1S)-1-(3,4-dichlorophenyl)ethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations