Geometry & MOs

Info

ID:	237876
PubChem CID:	92722483
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-139.32
Dipole, Da:	2.89
IP(EA), eV:	-9.21(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=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