Geometry & MOs

Info

ID:	73797
PubChem CID:	48420481
Reduced:	N2O4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	380.083078
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	7.93
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-(4-nitrophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations