Geometry & MOs

Info

ID:	348970
PubChem CID:	127274696
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-123.67
Dipole, Da:	3.26
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)C(=O)N2CCCC2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations