Geometry & MOs

Info

ID:	170237
PubChem CID:	75211681
Reduced:	ClO3N6H21C26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	496.203193
ΔH_f, kcal/mol:	75.79
Dipole, Da:	12.28
IP(EA), eV:	-9.61(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-ethyl-2,6-dimethyl-1-methylsulfonyl-5-(1-phenylethylcarbamoyl)-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NC(=N2)NC(=O)NN=C(C)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

DOS

IR

Vibrations