Geometry & MOs

Info

ID:	44023
PubChem CID:	10322948
Reduced:	O2N7C27H27 (1)
Stoich.:	A2B7C27D27 (1)
Weight, g/mol:	481.167142
ΔH_f, kcal/mol:	20.51
Dipole, Da:	10.79
IP(EA), eV:	-8.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[3-(ethylsulfonylamino)phenyl]-N-(4-methoxyphenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)NC(=O)C3=CC=CC(=C3)CNC(=O)C4=CN=CC(=N4)N5CCCC5)N

DOS

IR

Vibrations