Geometry & MOs

Info

ID:	46526
PubChem CID:	10524988
Reduced:	NOSC25H37 (1)
Stoich.:	ABCD25E37 (1)
Weight, g/mol:	400.103477
ΔH_f, kcal/mol:	-44.42
Dipole, Da:	1.65
IP(EA), eV:	-8.64(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-(quinolin-6-ylamino)-2-(2,4,5-trifluorobenzoyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC=C(S1)CCCCC2=CC=CC=C2)CCN3CCOCC3

DOS

IR

Vibrations