Geometry & MOs

Info

ID:	396292
PubChem CID:	135027957
Reduced:	NSO5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	465.157623
ΔH_f, kcal/mol:	-204.61
Dipole, Da:	6.0
IP(EA), eV:	-9.65(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-acetyl-1-(4-methoxyphenyl)-5-methyl-2-phenylpyrrol-3-yl]-4-hydroxychromen-2-one

Drug info:

PubChemData

Smile

CC1(O[C@@H]2CN[C@H]([C@@H]2O1)[C@@H](CO)S(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations