Geometry & MOs

Info

ID:	357007
PubChem CID:	127293073
Reduced:	FON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	337.193632
ΔH_f, kcal/mol:	-27.91
Dipole, Da:	4.86
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3=NN(C=C3)C4=CC=CC=C4F

DOS

IR

Vibrations