Geometry & MOs

Info

ID:	78617
PubChem CID:	49700970
Reduced:	ClS2O3N5C19H24 (1)
Stoich.:	AB2C3D5E19F24 (1)
Weight, g/mol:	450.114396
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	6.82
IP(EA), eV:	-8.83(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-nitrobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations