Geometry & MOs

Info

ID:	186919
PubChem CID:	77505458
Reduced:	N4O9C41H50 (1)
Stoich.:	A4B9C41D50 (1)
Weight, g/mol:	408.072212
ΔH_f, kcal/mol:	-348.08
Dipole, Da:	10.41
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-4-(4,4-difluoropiperidin-1-yl)phenyl]sulfonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)NC(=O)C1CC(C=C1C(=O)NC(C(C)C)C(=O)NCC(=O)OCC2CCCCC2)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations