Geometry & MOs

Info

ID:	237919
PubChem CID:	92722661
Reduced:	SN4O5C18H26 (1)
Stoich.:	AB4C5D18E26 (1)
Weight, g/mol:	410.162391
ΔH_f, kcal/mol:	-199.67
Dipole, Da:	5.11
IP(EA), eV:	-9.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CNC(=O)[C@@]2(CN(CC(=O)N2C)S(=O)(=O)C)C

DOS

IR

Vibrations