Geometry & MOs

Info

ID:	446192
PubChem CID:	135273042
Reduced:	H2S2F8C13 (1)
Stoich.:	A2B2C8D13 (1)
Weight, g/mol:	532.174454
ΔH_f, kcal/mol:	-199.9
Dipole, Da:	1.33
IP(EA), eV:	-9.12(-2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-yl]-3-[6-(phenylcarbamothioylamino)naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

C1SC2=C(C(=C(C3=C(C(=C(S1)C(=C3F)F)F)F)C(=C2F)F)F)F

DOS

IR

Vibrations