Geometry & MOs

Info

ID:	448860
PubChem CID:	135294133
Reduced:	FNO3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	476.15348
ΔH_f, kcal/mol:	-137.99
Dipole, Da:	6.86
IP(EA), eV:	-9.17(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-2-yl]-7-(diethylamino)-4-dimethoxyphosphorylchromen-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C=O)C2=CC(=C(C=C2)C(=O)N(C)CC(C)C)O

DOS

IR

Vibrations