Geometry & MOs

Info

ID:	169194
PubChem CID:	75073632
Reduced:	O5C11H12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	421.147156
ΔH_f, kcal/mol:	-170.54
Dipole, Da:	4.73
IP(EA), eV:	-9.6(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminopyrrolidin-1-yl)-[1-[3-fluoro-4-(5-methylfuran-2-yl)phenyl]sulfonylpyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)OC(=O)C=CC1=CC(=O)C(=CO1)O

DOS

IR

Vibrations