Geometry & MOs

Info

ID:	38760
PubChem CID:	8137881
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	407.136887
ΔH_f, kcal/mol:	-67.6
Dipole, Da:	4.6
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4

DOS

IR

Vibrations