Geometry & MOs

Info

ID:	155586
PubChem CID:	56366073
Reduced:	BrN4O4H19C20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	387.050749
ΔH_f, kcal/mol:	-117.94
Dipole, Da:	7.35
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2-(2-phenoxyethoxy)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3

DOS

IR

Vibrations