Geometry & MOs

Info

ID:	194622
PubChem CID:	78564443
Reduced:	ClSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	396.077993
ΔH_f, kcal/mol:	-172.63
Dipole, Da:	7.41
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[3-(1,3-benzothiazol-2-yl)prop-2-enoyloxy]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCNC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations