Geometry & MOs

Info

ID:	376039
PubChem CID:	134222039
Reduced:	FSCl2N2O3C12H15 (1)
Stoich.:	ABC2D2E3F12G15 (1)
Weight, g/mol:	558.07118
ΔH_f, kcal/mol:	-145.59
Dipole, Da:	3.08
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[5-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]indol-1-yl]-2-hydroxyethyl]amino]-3,3,3-trifluoropropan-1-ol

Drug info:

PubChemData

Smile

CS(=N)(=O)C1=CC=C(C=C1)[C@H](C(CF)NC(=O)C(Cl)Cl)O

DOS

IR

Vibrations