Geometry & MOs

Info

ID:	178016
PubChem CID:	76263498
Reduced:	BrOSN2C17H19 (1)
Stoich.:	ABCD2E17F19 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	10.75
Dipole, Da:	5.89
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-(2-methylsulfanylimidazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)NCC(C)(C)C2=CC=C(C=C2)Br

DOS

IR

Vibrations