Geometry & MOs

Info

ID:	346050
PubChem CID:	127270538
Reduced:	SO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	394.258006
ΔH_f, kcal/mol:	-94.6
Dipole, Da:	0.64
IP(EA), eV:	-9.0(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCCC2C3=CC=CS3

DOS

IR

Vibrations