Geometry & MOs

Info

ID:	133455
PubChem CID:	51529808
Reduced:	SN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	303.207253
ΔH_f, kcal/mol:	-94.69
Dipole, Da:	5.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769654
Charge, e:	1

Chem-info

IUPAC name:

3-[furan-2-ylmethyl-[(2-hydroxy-5-methylphenyl)methyl]amino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=C(N(C(=NC1=O)SCC(=O)NC2=CC=CC=C2C)[C@@H](C)CC)[O-]

DOS

IR

Vibrations