Geometry & MOs

Info

ID:	46998
PubChem CID:	10528834
Reduced:	NS4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	483.146407
ΔH_f, kcal/mol:	62.66
Dipole, Da:	2.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.931504
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2-[(2,4-dimethoxyphenyl)methylsulfinyl]pyridine-3-carbonyl]amino]-5-methylpyridin-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=C2SC(=C(S2)C3=CC=[N+](C=C3)C)C)S1)C

DOS

IR

Vibrations