Geometry & MOs

Info

ID:	237269
PubChem CID:	92718067
Reduced:	SN2O4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	436.064841
ΔH_f, kcal/mol:	-143.89
Dipole, Da:	11.61
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

DOS

IR

Vibrations