Geometry & MOs

Info

ID:	32628
PubChem CID:	7846999
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	389.06009
ΔH_f, kcal/mol:	-116.77
Dipole, Da:	2.26
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)OC(=O)CCC2=NC3=CC=CC=C3S2)C

DOS

IR

Vibrations