Geometry & MOs

Info

ID:	237913
PubChem CID:	92722563
Reduced:	SN3O5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	455.164555
ΔH_f, kcal/mol:	-133.26
Dipole, Da:	3.63
IP(EA), eV:	-9.25(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@]2(CN(CC(=O)N2CCC3=CC=CO3)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations