Geometry & MOs

Info

ID:	85798
PubChem CID:	49879315
Reduced:	S2O3N6H20C22 (1)
Stoich.:	A2B3C6D20E22 (1)
Weight, g/mol:	394.124566
ΔH_f, kcal/mol:	35.21
Dipole, Da:	7.14
IP(EA), eV:	-9.13(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(cyclopentylamino)-4-oxobutyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)CCC2=NN=C(S2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations