Geometry & MOs

Info

ID:	361570
PubChem CID:	127303762
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-148.68
Dipole, Da:	10.78
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCN2CCN(CC2)C(=O)C3CCC(=O)N3

DOS

IR

Vibrations