Geometry & MOs

Info

ID:	236801
PubChem CID:	92714738
Reduced:	SO2N5C24H31 (1)
Stoich.:	AB2C5D24E31 (1)
Weight, g/mol:	467.199111
ΔH_f, kcal/mol:	15.44
Dipole, Da:	4.13
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(R)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](CCNC(=O)C[S@@](=O)CC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)N4CCCC4

DOS

IR

Vibrations