Geometry & MOs

Info

ID:	46999
PubChem CID:	10528838
Reduced:	SN3O6C24H25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	483.198048
ΔH_f, kcal/mol:	-157.55
Dipole, Da:	7.58
IP(EA), eV:	-8.81(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydrylsulfinyl-N-[2-(dimethylamino)-4-ethylphenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(N=C1)COC(=O)C)NC(=O)C2=C(N=CC=C2)S(=O)CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations