Geometry & MOs

Info

ID:	307718
PubChem CID:	125308563
Reduced:	N2O6H20C23 (1)
Stoich.:	A2B6C20D23 (1)
Weight, g/mol:	466.129549
ΔH_f, kcal/mol:	-163.51
Dipole, Da:	6.32
IP(EA), eV:	-9.07(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-chloro-3-[2-[[(2S)-1-(2H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]-4-methyl-2-oxochromen-7-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)N[C@H](CC3=C4C=CC=CC4=NC3)C(=O)O)O

DOS

IR

Vibrations