Geometry & MOs

Info

ID:	144534
PubChem CID:	53383089
Reduced:	FSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-179.21
Dipole, Da:	6.2
IP(EA), eV:	-9.13(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2(CN(CC(=O)N2CC3=CC(=CC=C3)F)S(=O)(=O)C)C

DOS

IR

Vibrations