Geometry & MOs

Info

ID:	218760
PubChem CID:	85089931
Reduced:	NPO4C30H36 (1)
Stoich.:	ABC4D30E36 (1)
Weight, g/mol:	505.278801
ΔH_f, kcal/mol:	-142.34
Dipole, Da:	6.69
IP(EA), eV:	-9.24(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(C(C(C1CCCCC1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O)NCC4=CC=CC=C4

DOS

IR

Vibrations