Geometry & MOs

Info

ID:	349100
PubChem CID:	127274826
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	389.098017
ΔH_f, kcal/mol:	-111.19
Dipole, Da:	1.68
IP(EA), eV:	-8.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NC(=O)CN3CC(OC4=CC=CC=C43)C(=O)NC

DOS

IR

Vibrations