Geometry & MOs

Info

ID:	140037
PubChem CID:	52635054
Reduced:	O2N3S3C16H27 (1)
Stoich.:	A2B3C3D16E27 (1)
Weight, g/mol:	389.126541
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	3.95
IP(EA), eV:	-8.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-[(1S,2S)-2-methylcyclohexyl]oxyethylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCCNC(=O)CSC1=NN=C(S1)SCCO[C@@H]2CCCC[C@@H]2C

DOS

IR

Vibrations