Geometry & MOs

Info

ID:	435178
PubChem CID:	135183455
Reduced:	FCl2O2S2N6H35C40 (1)
Stoich.:	AB2C2D2E6F35G40 (1)
Weight, g/mol:	177.062363
ΔH_f, kcal/mol:	62.59
Dipole, Da:	2.11
IP(EA), eV:	-7.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl (Z)-4-(dimethylamino)-2-fluorobut-2-enethioate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2=CC3=NSC(=C3C=C2Cl)N4CCNCC4C5=CC6=CC(=CC(=C6C=C5)C7=CC8=NSC(=C8C=C7Cl)N9CCNCC9)OC

DOS

IR

Vibrations