Geometry & MOs

Info

ID:	236794
PubChem CID:	92714694
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-16.65
Dipole, Da:	3.4
IP(EA), eV:	-8.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-ylethyl)-2-[(S)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C[S@@](=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3

DOS

IR

Vibrations