Geometry & MOs

Info

ID:	444678
PubChem CID:	135263245
Reduced:	ON2C9H12 (3)
Stoich.:	AB2C9D12 (3)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-39.6
Dipole, Da:	5.49
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1COC(CN1C2=NC(=NC(=C2)N3C4=C(C=C(C(=C4)C5CCN(CC5)C6COC6)C)C=N3)C)CO

DOS

IR

Vibrations