Geometry & MOs

Info

ID:	238016
PubChem CID:	92728810
Reduced:	SN5O5C19H25 (1)
Stoich.:	AB5C5D19E25 (1)
Weight, g/mol:	417.237604
ΔH_f, kcal/mol:	-191.8
Dipole, Da:	11.48
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SN=C1C)NC(=O)[C@H]2CCCN(C2)C3=CC(=O)N(C(=O)N3C)C

DOS

IR

Vibrations