Geometry & MOs

Info

ID:	68383
PubChem CID:	46508308
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	405.189986
ΔH_f, kcal/mol:	33.61
Dipole, Da:	3.96
IP(EA), eV:	-8.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[3-(carbamoylamino)-3-phenylpropanoyl]oxyacetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C

DOS

IR

Vibrations