Geometry & MOs

Info

ID:	78623
PubChem CID:	49701063
Reduced:	S2N5O5C22H31 (1)
Stoich.:	A2B5C5D22E31 (1)
Weight, g/mol:	497.155532
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	8.56
IP(EA), eV:	-8.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-2-[[5-[4-(4-phenylbenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NCCOC)OCC

DOS

IR

Vibrations