Geometry & MOs

Info

ID:	128712
PubChem CID:	51054936
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	349.100874
ΔH_f, kcal/mol:	-129.94
Dipole, Da:	7.67
IP(EA), eV:	-9.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=CC2=C(CC(CC2=O)C3=CC=CS3)NC1=O

DOS

IR

Vibrations