Geometry & MOs

Info

ID:	41847
PubChem CID:	8147283
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	328.109944
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	5.07
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3E)-3-[(3-hydroxyphenyl)methylidene]-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)NCCN2C(=O)/C(=C/C3=CC=CC=C3)/SC2=O

DOS

IR

Vibrations