Geometry & MOs

Info

ID:	85271
PubChem CID:	49873354
Reduced:	ClN2O6C26H33 (1)
Stoich.:	AB2C6D26E33 (1)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	-239.43
Dipole, Da:	3.83
IP(EA), eV:	-8.18(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dodecanoylamino)-N-pyridin-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1(CN(CCN1C)[C@@H]2C[C@H](C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations