Geometry & MOs

Info

ID:	228360
PubChem CID:	87564079
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	0.28
Dipole, Da:	3.93
IP(EA), eV:	-8.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]pyridin-3-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)NC1=NC=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)CC=O

DOS

IR

Vibrations