Geometry & MOs

Info

ID:	78622
PubChem CID:	49701062
Reduced:	S2N5O5C20H27 (1)
Stoich.:	A2B5C5D20E27 (1)
Weight, g/mol:	509.176661
ΔH_f, kcal/mol:	-121.25
Dipole, Da:	11.4
IP(EA), eV:	-8.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)CSC1=NN=C(S1)N2CCN(CC2)C(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations