Geometry & MOs

Info

ID:	78604
PubChem CID:	49700752
Reduced:	SO2N3C10H12 (2)
Stoich.:	AB2C3D10E12 (2)
Weight, g/mol:	502.145696
ΔH_f, kcal/mol:	-16.2
Dipole, Da:	7.6
IP(EA), eV:	-9.16(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[[5-[4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations