Geometry & MOs

Info

ID:	300480
PubChem CID:	121313639
Reduced:	OSN3C28H31 (1)
Stoich.:	ABC3D28E31 (1)
Weight, g/mol:	476.070086
ΔH_f, kcal/mol:	11.0
Dipole, Da:	0.99
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3,4-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC2CCC3=C(C2)SC4=C3C(=O)N(C=N4)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations