Geometry & MOs

Info

ID:	129161
PubChem CID:	51071797
Reduced:	SN3O4C28H45 (1)
Stoich.:	AB3C4D28E45 (1)
Weight, g/mol:	369.152241
ΔH_f, kcal/mol:	-221.59
Dipole, Da:	3.15
IP(EA), eV:	-9.35(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCS(=O)(=O)N1CCCC(C1)C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C3=CC=CC=C3C

DOS

IR

Vibrations