Geometry & MOs

Info

ID:	204377
PubChem CID:	79957300
Reduced:	NSF3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-201.81
Dipole, Da:	3.86
IP(EA), eV:	-8.64(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]thian-3-amine

Drug info:

PubChemData

Smile

CC1C(CCCS1)NC2CCC(CC2)C(F)(F)F

DOS

IR

Vibrations