Geometry & MOs

Info

ID:	32612
PubChem CID:	7846968
Reduced:	NSO2H17C23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	11.43
Dipole, Da:	1.81
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)OC(=O)CCC4=NC5=CC=CC=C5S4

DOS

IR

Vibrations