Geometry & MOs

Info

ID:	78621
PubChem CID:	49701045
Reduced:	ClS2O3N5C14H22 (1)
Stoich.:	AB2C3D5E14F22 (1)
Weight, g/mol:	481.145361
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	3.9
IP(EA), eV:	-8.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=NN=C(S2)SCC(=O)NCCOC)Cl

DOS

IR

Vibrations