Geometry & MOs

Info

ID:	312974
PubChem CID:	126610586
Reduced:	SO3N4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	499.167811
ΔH_f, kcal/mol:	59.54
Dipole, Da:	4.59
IP(EA), eV:	-8.94(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[3-naphthalen-2-yl-5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=CC(=C3)[N+](=O)[O-])C4=NC(=NN4)SCC(=O)C

DOS

IR

Vibrations