Geometry & MOs

Info

ID:	237857
PubChem CID:	92722020
Reduced:	N3O3C20H33 (1)
Stoich.:	A3B3C20D33 (1)
Weight, g/mol:	455.164555
ΔH_f, kcal/mol:	-146.84
Dipole, Da:	6.01
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-chlorophenyl)methyl]-N-cycloheptyl-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NCCN3CCCC[C@H]3C

DOS

IR

Vibrations