Geometry & MOs

Info

ID:	349686
PubChem CID:	127275838
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	369.208613
ΔH_f, kcal/mol:	-35.73
Dipole, Da:	4.92
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-[2-(cyclohexanecarbonylamino)propanoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1CSCN1C(=O)C2=NOC(=C2)C3=CC=NC=C3

DOS

IR

Vibrations