Geometry & MOs

Info

ID:	237873
PubChem CID:	92722451
Reduced:	FSN3O5C23H28 (1)
Stoich.:	ABC3D5E23F28 (1)
Weight, g/mol:	477.17337
ΔH_f, kcal/mol:	-213.0
Dipole, Da:	5.61
IP(EA), eV:	-8.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN2C(=O)CN(C[C@@]2(C)C(=O)NCC3=CC=C(C=C3)F)S(=O)(=O)C

DOS

IR

Vibrations