Geometry & MOs

Info

ID:	218041
PubChem CID:	85088781
Reduced:	S2N5O5C16H17 (1)
Stoich.:	A2B5C5D16E17 (1)
Weight, g/mol:	423.194677
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	7.51
IP(EA), eV:	-8.83(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-phenylethenyl)piperidin-4-yl]amino]-6-pyridin-4-ylchromen-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4NC(=O)N=N4

DOS

IR

Vibrations