Geometry & MOs

Info

ID:	217591
PubChem CID:	85088073
Reduced:	SO2N6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	380.162374
ΔH_f, kcal/mol:	57.66
Dipole, Da:	4.31
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-methoxy-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1C(=O)N(C(=NNC(=O)CN2C3=CC=CC=C3N=N2)S1)CC4=CC=CC=C4

DOS

IR

Vibrations