Geometry & MOs

Info

ID:	369989
PubChem CID:	127337069
Reduced:	OSN6C18H28 (1)
Stoich.:	ABC6D18E28 (1)
Weight, g/mol:	381.219846
ΔH_f, kcal/mol:	-1.28
Dipole, Da:	9.14
IP(EA), eV:	-9.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxan-4-ylmethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3=NN=C(S3)C(CC)CC

DOS

IR

Vibrations