Geometry & MOs

Info

ID:	437305
PubChem CID:	135222592
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	454.131091
ΔH_f, kcal/mol:	-59.43
Dipole, Da:	3.59
IP(EA), eV:	-9.63(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[[4-(pyridin-4-ylmethylcarbamoylamino)phenyl]sulfonylamino]methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(C1)CNS(=O)(=O)C2=CC=CC(=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations