Geometry & MOs

Info

ID:	176012
PubChem CID:	75981444
Reduced:	NSO5H21C25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	430.135114
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	5.45
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzothiazol-2-yl)phenyl] 2-benzamido-3-methylbutanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations