Geometry & MOs

Info

ID:	149846
PubChem CID:	53789525
Reduced:	NSC3H3 (2)
Stoich.:	ABC3D3 (2)
Weight, g/mol:	682.295082
ΔH_f, kcal/mol:	84.47
Dipole, Da:	2.1
IP(EA), eV:	-8.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]-(3,3-diphenylpropanoyl)-(2-methoxyethoxymethyl)-propan-2-ylazanium

Drug info:

PubChemData

Smile

C1=CSC=C1N2C=CSN2

DOS

IR

Vibrations