Geometry & MOs

Info

ID:	139041
PubChem CID:	52463919
Reduced:	FOS2N4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	444.128983
ΔH_f, kcal/mol:	9.8
Dipole, Da:	5.12
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)S[C@H](C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations