Geometry & MOs

Info

ID:	78605
PubChem CID:	49700781
Reduced:	SO2N3C11H13 (2)
Stoich.:	AB2C3D11E13 (2)
Weight, g/mol:	475.07113
ΔH_f, kcal/mol:	-6.13
Dipole, Da:	2.8
IP(EA), eV:	-9.02(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(4-bromobutanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-cyclopentylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CSC2=NN=C(S2)N3CCN(CC3)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations