Geometry & MOs

Info

ID:	441444
PubChem CID:	135234690
Reduced:	O2F3N6H23C27 (1)
Stoich.:	A2B3C6D23E27 (1)
Weight, g/mol:	240.169391
ΔH_f, kcal/mol:	-89.69
Dipole, Da:	5.86
IP(EA), eV:	-8.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[dimethylamino(dimethyl)-lambda4-sulfanyl]ethyl-dimethyl-lambda4-sulfanyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)OCC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations