Geometry & MOs

Info

ID:	38234
PubChem CID:	8028362
Reduced:	ClNO5H20C21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	401.103
ΔH_f, kcal/mol:	-171.16
Dipole, Da:	6.14
IP(EA), eV:	-9.29(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-[(2S)-2-hydroxy-2-phenylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)O[C@@H](C)C(=O)NC[C@@H](C3=CC=CC=C3)O

DOS

IR

Vibrations