Geometry & MOs

Info

ID:	445908
PubChem CID:	135269912
Reduced:	SO3N6C21H26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	414.206719
ΔH_f, kcal/mol:	-10.53
Dipole, Da:	5.36
IP(EA), eV:	-8.52(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-4-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,6-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C(=N)OC(=N)C(=O)NC2CCNC2)C3=CC=C(C=C3)S(=O)C(C)C

DOS

IR

Vibrations