Geometry & MOs

Info

ID:	323201
PubChem CID:	126673538
Reduced:	FSN4O5C37H41 (1)
Stoich.:	ABC4D5E37F41 (1)
Weight, g/mol:	549.118141
ΔH_f, kcal/mol:	-165.07
Dipole, Da:	5.16
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)OC)C(=O)[C@H](CCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)NC(NC5=CC=C(C=C5)F)S

DOS

IR

Vibrations