Geometry & MOs

Info

ID:	32053
PubChem CID:	4254381
Reduced:	SN3O5H15C19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	604.273736
ΔH_f, kcal/mol:	59.81
Dipole, Da:	8.03
IP(EA), eV:	-9.28(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[3-(3,3-diphenylpropylcarbamoyl)phenyl]methyl]-4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=CC3=C(C(=NO3)C)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations