Geometry & MOs

Info

ID:	307703
PubChem CID:	125308248
Reduced:	ClN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	452.158351
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	3.99
IP(EA), eV:	-9.68(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[[(4R)-4,8-dimethyl-2-oxo-3,4-dihydrochromen-7-yl]oxy]acetyl]amino]-3-(5-hydroxy-2H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=CC(=O)[C@@H](C=N2)OCC3=CC=CC=C3Cl

DOS

IR

Vibrations