Geometry & MOs

Info

ID:	232549
PubChem CID:	87576405
Reduced:	SN3O6C27H31 (1)
Stoich.:	AB3C6D27E31 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-142.64
Dipole, Da:	5.53
IP(EA), eV:	-8.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(dimethylamino)-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]chromen-2-one

Drug info:

PubChemData

Smile

CC(C(C(=O)OC)NC1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)NS(=O)(=O)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations