Geometry & MOs

Info

ID:	38233
PubChem CID:	8028353
Reduced:	N2O5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	401.103
ΔH_f, kcal/mol:	-180.84
Dipole, Da:	9.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756683
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)O[C@@H](C)C(=O)NCC[NH+]3CCOCC3

DOS

IR

Vibrations