Geometry & MOs

Info

ID:	245485
PubChem CID:	99445227
Reduced:	S2N3O5C23H25 (1)
Stoich.:	A2B3C5D23E25 (1)
Weight, g/mol:	386.167557
ΔH_f, kcal/mol:	-124.58
Dipole, Da:	3.35
IP(EA), eV:	-8.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-fluoro-N-[(2S)-1-methoxypropan-2-yl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCN1C(=CN=C1SCC(=O)[C@H](C2=NC(=CS2)C)C(=O)OCC)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations