Geometry & MOs

Info

ID:	32636
PubChem CID:	7847015
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-72.14
Dipole, Da:	2.19
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations