Geometry & MOs

Info

ID:	348450
PubChem CID:	127273551
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	399.165034
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	8.53
IP(EA), eV:	-8.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidin-3-yl]butan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N(C(=O)N4C)C

DOS

IR

Vibrations