Geometry & MOs

Info

ID:	236800
PubChem CID:	92714735
Reduced:	FSO2N4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	453.219846
ΔH_f, kcal/mol:	7.33
Dipole, Da:	5.01
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]-N-[(3S)-3-pyrrolidin-1-ylbutyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=C(C=N2)C[S@@](=O)CC(=O)NCC3=CC(=CC=C3)F)N4C=CC=C4

DOS

IR

Vibrations