Geometry & MOs

Info

ID:	44411
PubChem CID:	10503408
Reduced:	O2N7C24H25 (1)
Stoich.:	A2B7C24D25 (1)
Weight, g/mol:	443.130363
ΔH_f, kcal/mol:	43.6
Dipole, Da:	1.09
IP(EA), eV:	-8.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydrylsulfinyl-N-(2-methoxypyridin-3-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(N1C2=CC=CC=C2)[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)C6=CC=CC=C6

DOS

IR

Vibrations