Geometry & MOs

Info

ID:	31791
PubChem CID:	3718242
Reduced:	FS2N4O4H21C22 (1)
Stoich.:	AB2C4D4E21F22 (1)
Weight, g/mol:	391.210721
ΔH_f, kcal/mol:	-114.35
Dipole, Da:	6.54
IP(EA), eV:	-8.59(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2-butoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=CS2)C3=CC4=C(C=C3)OCCO4)C(=O)CSC5=C(C=NC(=O)N5)F

DOS

IR

Vibrations