Geometry & MOs

Info

ID:	306332
PubChem CID:	125003781
Reduced:	N2O3C30H40 (1)
Stoich.:	A2B3C30D40 (1)
Weight, g/mol:	438.193691
ΔH_f, kcal/mol:	-125.02
Dipole, Da:	6.4
IP(EA), eV:	-8.66(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-acetyl-1-[3-[4-(dimethylsulfamoyl)phenyl]propanoyl]-N,N-dimethylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC[C@](C2)(CC(=O)N3CCCCC3)COC4=CC=CC=C4

DOS

IR

Vibrations