Geometry & MOs

Info

ID:	237886
PubChem CID:	92722496
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-166.61
Dipole, Da:	4.18
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxo-1-(3-phenylpropyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)CN(C[C@]2(C)C(=O)NCC3=CC=C(C=C3)C)S(=O)(=O)C

DOS

IR

Vibrations