Geometry & MOs

Info

ID:	44998
PubChem CID:	10507080
Reduced:	SN3O5C30H45 (1)
Stoich.:	AB3C5D30E45 (1)
Weight, g/mol:	560.200588
ΔH_f, kcal/mol:	-230.86
Dipole, Da:	2.34
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-N,N-dimethyl-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]sulfonylindole-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](CN(CC1=CC=CC2=CC=CC=C21)CC(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations