Geometry & MOs

Info

ID:	155063
PubChem CID:	56320634
Reduced:	SN3O7C18H23 (1)
Stoich.:	AB3C7D18E23 (1)
Weight, g/mol:	385.153223
ΔH_f, kcal/mol:	-233.66
Dipole, Da:	13.2
IP(EA), eV:	-9.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butyltetrazol-5-yl)methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)OCC(=O)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations