Geometry & MOs

Info

ID:	133598
PubChem CID:	51560427
Reduced:	FOS2N4C16H21 (1)
Stoich.:	ABC2D4E16F21 (1)
Weight, g/mol:	444.083844
ΔH_f, kcal/mol:	-41.06
Dipole, Da:	5.51
IP(EA), eV:	-8.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C)(C)C)SC1=NN=C(S1)NCC2=CC=C(C=C2)F

DOS

IR

Vibrations