Geometry & MOs

Info

ID:	236870
PubChem CID:	92715189
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	456.240641
ΔH_f, kcal/mol:	-215.95
Dipole, Da:	2.24
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)[C@@H](C)N2C(=O)COC3=C2C=C(C=C3)C

DOS

IR

Vibrations