Geometry & MOs

Info

ID:	78603
PubChem CID:	49700751
Reduced:	ClS2O3N5C21H26 (1)
Stoich.:	AB2C3D5E21F26 (1)
Weight, g/mol:	476.130046
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	3.63
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC4CCCC4

DOS

IR

Vibrations