Geometry & MOs

Info

ID:	141809
PubChem CID:	52931595
Reduced:	ClISN2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	421.113707
ΔH_f, kcal/mol:	67.38
Dipole, Da:	1.22
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-hydroxy-2-(trifluoromethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=NC(C)(C)C#C)SC.I

DOS

IR

Vibrations