Geometry & MOs

Info

ID:	189170
PubChem CID:	77824764
Reduced:	O2S2N3C10H19 (1)
Stoich.:	A2B2C3D10E19 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-54.88
Dipole, Da:	5.81
IP(EA), eV:	-8.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[2-amino-3-(4-benzyl-3-oxopiperazin-2-yl)propyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(CN1CC2=C(S1(=O)=O)CCS2)NN

DOS

IR

Vibrations