Geometry & MOs

Info

ID:	73833
PubChem CID:	48420650
Reduced:	SN2O4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-8.94
Dipole, Da:	4.29
IP(EA), eV:	-9.92(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-(propan-2-ylcarbamoylamino)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3)[N+](=O)[O-]

DOS

IR

Vibrations