Geometry & MOs

Info

ID:	156067
PubChem CID:	56368985
Reduced:	BrN2O4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	404.188212
ΔH_f, kcal/mol:	-114.3
Dipole, Da:	3.82
IP(EA), eV:	-8.94(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCC(CC2)OC3=C(C=CC=C3OC)OC)Br

DOS

IR

Vibrations