Geometry & MOs

Info

ID:	237908
PubChem CID:	92722526
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	447.162806
ΔH_f, kcal/mol:	-164.9
Dipole, Da:	8.79
IP(EA), eV:	-8.37(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-fluorophenyl)methyl]-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@]2(CN(CC(=O)N2CC3=CC(=CC=C3)OC)S(=O)(=O)C)C

DOS

IR

Vibrations