Geometry & MOs

Info

ID:	193170
PubChem CID:	78352950
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	556.166808
ΔH_f, kcal/mol:	-135.78
Dipole, Da:	7.54
IP(EA), eV:	-8.91(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2-[3,9-dioxo-1-(3-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4CCCCC4C3=O)C5=CC=C(C=C5)OC)C(=O)C

DOS

IR

Vibrations