Geometry & MOs

Info

ID:	237925
PubChem CID:	92722728
Reduced:	ClSN4O5C18H25 (1)
Stoich.:	ABC4D5E18F25 (1)
Weight, g/mol:	424.178041
ΔH_f, kcal/mol:	-207.55
Dipole, Da:	4.67
IP(EA), eV:	-9.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[(4-ethylphenyl)methylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCCC2=CC=CC=C2Cl

DOS

IR

Vibrations