Geometry & MOs

Info

ID:

324371

PubChem CID:

126677530

Reduced:

OSN4F6H26C28 (1)

Stoich.:

ABC4D6E26F28 (1)

Weight, g/mol:

580.173152

ΔHf, kcal/mol:

-266.65

Dipole, Da:

5.21

IP(EA), eV:

 -9.03(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[(5S)-3-ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decan-5-yl]quinolin-6-yl]thiourea

Drug info:

PubChemData

Smile

CCC1(CN2CCC1C3C2[C@@H]3C4=C5C=C(C=CC5=NC=C4)NC(=S)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations