Geometry & MOs

Info

ID:	244340
PubChem CID:	99344161
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-72.74
Dipole, Da:	3.5
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1(CC1)C2=CC=CC=C2OC)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations