Geometry & MOs

Info

ID:	135431
PubChem CID:	51870217
Reduced:	SN3O4C21H33 (1)
Stoich.:	AB3C4D21E33 (1)
Weight, g/mol:	423.219178
ΔH_f, kcal/mol:	-179.39
Dipole, Da:	6.49
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(2R)-4-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopentan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN(CC2)C(=O)C(C)C

DOS

IR

Vibrations