Geometry & MOs

Info

ID:	149583
PubChem CID:	53789257
Reduced:	O2C11H13 (2)
Stoich.:	A2B11C13 (2)
Weight, g/mol:	208.030649
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	4.28
IP(EA), eV:	-8.36(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(1,3-benzothiazol-4-yl)carbamate

Drug info:

PubChemData

Smile

CC=COC1=C(C=C(C=C1)CCCCC2=CC(=C(C=C2)OC=CC)O)O

DOS

IR

Vibrations