Geometry & MOs

Info

ID:	302331
PubChem CID:	124361265
Reduced:	NO7C22H25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	454.117413
ΔH_f, kcal/mol:	-249.45
Dipole, Da:	4.35
IP(EA), eV:	-9.06(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] (2S,3S)-2-amino-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)O)NC(=O)COC1=CC(=C(C=C1)C(=O)COC2=CC=CC=C2)O

DOS

IR

Vibrations