Geometry & MOs

Info

ID:	195693
PubChem CID:	78724279
Reduced:	O2S2N3C14H21 (1)
Stoich.:	A2B2C3D14E21 (1)
Weight, g/mol:	374.067436
ΔH_f, kcal/mol:	12.91
Dipole, Da:	6.14
IP(EA), eV:	-8.7(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCCCSC

DOS

IR

Vibrations