Geometry & MOs

Info

ID:	65358
PubChem CID:	29214787
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	412.169975
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	1.55
IP(EA), eV:	-8.46(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[2-(butylcarbamothioyl)-2-methylhydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C[C@H](COC2=CC=CC(=C2)CNCCN3C=CC=N3)O

DOS

IR

Vibrations