Geometry & MOs

Info

ID:	44630
PubChem CID:	10504543
Reduced:	F4N4O4C21H22 (1)
Stoich.:	A4B4C4D21E22 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-315.13
Dipole, Da:	7.13
IP(EA), eV:	-8.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-[2-[2-hydroxyethyl(methyl)amino]pyridin-4-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=C1N3CC[C@@H](C3)N(C)C(=O)C(F)(F)F)F)N)C(=O)C(=CN2C4CC4)C(=O)O

DOS

IR

Vibrations