Geometry & MOs

Info

ID:	436668
PubChem CID:	135207231
Reduced:	O4N7C39H55 (1)
Stoich.:	A4B7C39D55 (1)
Weight, g/mol:	327.166828
ΔH_f, kcal/mol:	-139.28
Dipole, Da:	9.51
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC4=C(CN(CC4)C5=NC(=NC=C5)N6CCN(CC6)CCO)C=C3

DOS

IR

Vibrations