Geometry & MOs

Info

ID:	344398
PubChem CID:	127267574
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	381.208613
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	6.0
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidine-3-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)C2=CC=CC=C2N3CCOCC3

DOS

IR

Vibrations