Geometry & MOs

Info

ID:	388898
PubChem CID:	134990544
Reduced:	NO17C45H71 (1)
Stoich.:	AB17C45D71 (1)
Weight, g/mol:	353.140927
ΔH_f, kcal/mol:	-787.24
Dipole, Da:	8.88
IP(EA), eV:	-9.08(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoylsulfamoyl)-2-methylphenyl]acetamide

Drug info:

Smile

CCC(=O)O[C@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C

DOS

IR

Vibrations