Geometry & MOs

Info

ID:	155774
PubChem CID:	56367497
Reduced:	BrClN2O2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	414.007504
ΔH_f, kcal/mol:	-46.02
Dipole, Da:	6.34
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations