Geometry & MOs

Info

ID:	140385
PubChem CID:	52689337
Reduced:	NOSC6H9 (3)
Stoich.:	ABCD6E9 (3)
Weight, g/mol:	446.09413
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	11.62
IP(EA), eV:	-8.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-4-chlorophenyl]-5-methyl-1,2-oxazole-4-carboximidate

Drug info:

PubChemData

Smile

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC3=C(S2)N=C(S3)N(CC)CC

DOS

IR

Vibrations