Geometry & MOs

Info

ID:	155853
PubChem CID:	56367879
Reduced:	BrSN4O5C19H21 (1)
Stoich.:	ABC4D5E19F21 (1)
Weight, g/mol:	443.076963
ΔH_f, kcal/mol:	-174.41
Dipole, Da:	16.0
IP(EA), eV:	-8.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetyl-2-methoxyphenoxy)-N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NC2=C(C=CC(=C2)Br)NC(=O)C

DOS

IR

Vibrations