Geometry & MOs

Info

ID:	35281
PubChem CID:	7979623
Reduced:	SN2O5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	411.146407
ΔH_f, kcal/mol:	-132.52
Dipole, Da:	11.92
IP(EA), eV:	-9.25(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations