Geometry & MOs

Info

ID:	362085
PubChem CID:	127305762
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	381.208613
ΔH_f, kcal/mol:	-43.44
Dipole, Da:	6.55
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CC4=C(N3)C=CC5=CC=CC=C54

DOS

IR

Vibrations