Geometry & MOs

Info

ID:	32632
PubChem CID:	7847010
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	376.06932
ΔH_f, kcal/mol:	-86.35
Dipole, Da:	3.88
IP(EA), eV:	-8.53(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations