Geometry & MOs

Info

ID:	430788
PubChem CID:	135170855
Reduced:	O2F3N3C25H28 (1)
Stoich.:	A2B3C3D25E28 (1)
Weight, g/mol:	442.216438
ΔH_f, kcal/mol:	-200.45
Dipole, Da:	4.73
IP(EA), eV:	-9.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-1-[5-[[3-(benzylamino)cyclohexyl]-ethylcarbamoyl]-2-methyl-1H-pyrrol-3-yl]prop-1-ene-2-sulfinate

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)OC(F)(F)F

DOS

IR

Vibrations