Geometry & MOs

Info

ID:	441331
PubChem CID:	135234142
Reduced:	O2S2F4N10C31H32 (1)
Stoich.:	A2B2C4D10E31F32 (1)
Weight, g/mol:	213.129969
ΔH_f, kcal/mol:	-72.77
Dipole, Da:	5.97
IP(EA), eV:	-9.03(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methylaminomethyl (Z)-N-(methylideneamino)cyclohexanecarboximidothioate

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@H](C1)C2=NN=C(S2)NC3(CO3)CC4=NC=C(C=C4)N5CC(C5)(F)F)C6=NN=C(S6)NC(=O)CC7=NC=C(C=C7)N8CC(C8)(F)F

DOS

IR

Vibrations