Geometry & MOs

Info

ID:	358984
PubChem CID:	127296875
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	4.48
IP(EA), eV:	-9.3(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutanecarbonyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1)NC(=O)CC2CCS(=O)(=O)C2)C3=NC=CC=N3

DOS

IR

Vibrations