Geometry & MOs

Info

ID:	157834
PubChem CID:	56437514
Reduced:	F3O3N4C21H29 (1)
Stoich.:	A3B3C4D21E29 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-294.43
Dipole, Da:	2.9
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N'-[2-(2-methoxyanilino)acetyl]-3-methylbutanehydrazide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations