Geometry & MOs

Info

ID:	32630
PubChem CID:	7847005
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	381.17625
ΔH_f, kcal/mol:	-95.71
Dipole, Da:	4.87
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butyl-2,6-dimethylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)CCC2=NC3=CC=CC=C3S2)C

DOS

IR

Vibrations