Geometry & MOs

Info

ID:	128709
PubChem CID:	51054933
Reduced:	N2O2C11H11 (2)
Stoich.:	A2B2C11D11 (2)
Weight, g/mol:	377.132174
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	7.35
IP(EA), eV:	-8.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C(C2=NC(=O)CC(N2N1)C(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations