Geometry & MOs

Info

ID:	140386
PubChem CID:	52689573
Reduced:	ClSN3O4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	456.023251
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	6.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.185089
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboximidate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)N=C(C3=C(ON=C3)C)[O-])Cl

DOS

IR

Vibrations