Geometry & MOs

Info

ID:	78611
PubChem CID:	49700831
Reduced:	O2S2N5C20H33 (1)
Stoich.:	A2B2C5D20E33 (1)
Weight, g/mol:	397.160617
ΔH_f, kcal/mol:	-67.24
Dipole, Da:	5.7
IP(EA), eV:	-8.82(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-cyclohexylacetyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC

DOS

IR

Vibrations