Geometry & MOs

Info

ID:	78618
PubChem CID:	49700971
Reduced:	SO2N3C9H11 (2)
Stoich.:	AB2C3D9E11 (2)
Weight, g/mol:	450.114396
ΔH_f, kcal/mol:	-19.54
Dipole, Da:	8.2
IP(EA), eV:	-8.5(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(3-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=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations