Geometry & MOs

Info

ID:	129834
PubChem CID:	51074007
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	284.076553
ΔH_f, kcal/mol:	-42.19
Dipole, Da:	4.42
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C(=C1)C(=O)NC2=CC=CC=C2N3CCCC3)C

DOS

IR

Vibrations