Geometry & MOs

Info

ID:	174433
PubChem CID:	75761577
Reduced:	SN2O4C31H38 (1)
Stoich.:	AB2C4D31E38 (1)
Weight, g/mol:	411.10318
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	3.67
IP(EA), eV:	-9.2(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-bromophenyl)propan-2-yl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(C2=CC=CC=C2)C(=O)C(CC)C3=CC=CC=C3

DOS

IR

Vibrations