Geometry & MOs

Info

ID:	244342
PubChem CID:	99344179
Reduced:	ClSN2O5C23H27 (1)
Stoich.:	ABC2D5E23F27 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	5.62
IP(EA), eV:	-8.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butylphenyl)sulfonylamino]-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(CC2)CNC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NC[C@H]4CCCO4

DOS

IR

Vibrations