Geometry & MOs

Info

ID:	165954
PubChem CID:	74618850
Reduced:	ClN4O4C26H29 (1)
Stoich.:	AB4C4D26E29 (1)
Weight, g/mol:	393.206385
ΔH_f, kcal/mol:	-143.43
Dipole, Da:	6.65
IP(EA), eV:	-8.67(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations