Geometry & MOs

Info

ID:	204376
PubChem CID:	79956645
Reduced:	ClSN3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	281.142505
ΔH_f, kcal/mol:	35.01
Dipole, Da:	4.41
IP(EA), eV:	-8.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine

Drug info:

PubChemData

Smile

CC1C(CCCS1)NC2=C(C(=CC=C2)Cl)N3C=CN=C3

DOS

IR

Vibrations