Geometry & MOs

Info

ID:	297244
PubChem CID:	117613944
Reduced:	BrNSO2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	633.115696
ΔH_f, kcal/mol:	-60.47
Dipole, Da:	4.75
IP(EA), eV:	-9.72(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-4-[5-(3-methylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)N1CC2=C(S1(=O)=O)C=CC(=C2)Br

DOS

IR

Vibrations