Geometry & MOs

Info

ID:	232841
PubChem CID:	87577195
Reduced:	SN2O5F6C20H24 (1)
Stoich.:	AB2C5D6E20F24 (1)
Weight, g/mol:	375.231063
ΔH_f, kcal/mol:	-510.26
Dipole, Da:	12.24
IP(EA), eV:	-9.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(1H-indol-3-yl)-5,6-dimethyl-3-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CO[C@H]1C[C@H](C[C@@H]1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)N3CCN(CC3)CC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations