Geometry & MOs

Info

ID:	65435
PubChem CID:	29214971
Reduced:	SO2N7H23C27 (1)
Stoich.:	AB2C7D23E27 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	129.21
Dipole, Da:	8.82
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(butylcarbamothioyl)-2-methylhydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=NN=C(N3N)N/N=C\C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations