Geometry & MOs

Info

ID:	236796
PubChem CID:	92714701
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	13.23
Dipole, Da:	4.47
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[(R)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations