Geometry & MOs

Info

ID:	361449
PubChem CID:	127303537
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	4.59
IP(EA), eV:	-8.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-[3-(morpholin-4-ylmethyl)benzoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CSCN2C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations