Geometry & MOs

Info

ID:	349045
PubChem CID:	127274771
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	302.130028
ΔH_f, kcal/mol:	-155.06
Dipole, Da:	4.25
IP(EA), eV:	-9.06(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)NCC3COCCO3

DOS

IR

Vibrations