Geometry & MOs

Info

ID:	78606
PubChem CID:	49700782
Reduced:	BrO2S2N5C17H26 (1)
Stoich.:	AB2C2D5E17F26 (1)
Weight, g/mol:	453.107537
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	6.7
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[[5-[4-(4-methylthiadiazole-5-carbonyl)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)CCCBr

DOS

IR

Vibrations