Geometry & MOs

Info

ID:	32601
PubChem CID:	7846951
Reduced:	ClNSO4H16C21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	3.5
IP(EA), eV:	-9.29(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations