Geometry & MOs

Info

ID:	403248
PubChem CID:	135059371
Reduced:	BrN2S2O4C15H15 (1)
Stoich.:	AB2C2D4E15F15 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-33.87
Dipole, Da:	3.79
IP(EA), eV:	-9.34(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(E)-hex-4-enyl]-4-methoxyphenyl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=C3)Br

DOS

IR

Vibrations