Geometry & MOs

Info

ID:	25957
PubChem CID:	634959
Reduced:	N3O4F6H27C32 (1)
Stoich.:	A3B4C6D27E32 (1)
Weight, g/mol:	443.140259
ΔH_f, kcal/mol:	-383.88
Dipole, Da:	8.37
IP(EA), eV:	-8.2(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenoxy-N-(3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN3C(=O)C4=CC=CC=C4C3=O)OC)OC5=CC(=C(C=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations