Geometry & MOs

Info

ID:	56352
PubChem CID:	17425155
Reduced:	ClSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	5.43
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)CC2=NC(=CS2)C3=CC4=C(C=C3)OCCCO4)C.Cl

DOS

IR

Vibrations