Geometry & MOs

Info

ID:	440710
PubChem CID:	135231074
Reduced:	SO4N5C17H17 (1)
Stoich.:	AB4C5D17E17 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-63.23
Dipole, Da:	8.06
IP(EA), eV:	-9.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4-methyl-3-propan-2-ylphenyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CNN=C3

DOS

IR

Vibrations