Geometry & MOs

Info

ID:	227518
PubChem CID:	87561907
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	485.13038
ΔH_f, kcal/mol:	-153.3
Dipole, Da:	3.33
IP(EA), eV:	-9.12(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3-methylsulfonylphenyl)-1,3-benzothiazol-2-yl]-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)[N+]1(CCC(=O)CC1)C(=O)[O-]

DOS

IR

Vibrations