Geometry & MOs

Info

ID:	185339
PubChem CID:	77287793
Reduced:	BrO3N4H13C14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	618.212376
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	7.79
IP(EA), eV:	-9.53(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(3-methoxyphenyl)-3-N-[(4-propan-2-ylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CN(CC2C1=NC(=NC2=O)NC3=CC=C(C=C3)Br)C(=O)O

DOS

IR

Vibrations