Geometry & MOs

Info

ID:	361621
PubChem CID:	127303904
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-49.74
Dipole, Da:	7.15
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCCC(C2)C3=NN=CN3C(C)C

DOS

IR

Vibrations