Geometry & MOs

Info

ID:	129143
PubChem CID:	51071121
Reduced:	ClSN3O4C31H42 (1)
Stoich.:	ABC3D4E31F42 (1)
Weight, g/mol:	403.22712
ΔH_f, kcal/mol:	-175.71
Dipole, Da:	10.68
IP(EA), eV:	-9.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(cyclohexanecarbonyl)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N1CCCC(C1)C(=O)N[C@@H]2CCCC[C@H]2N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations