Geometry & MOs

Info

ID:	55520
PubChem CID:	17395496
Reduced:	O2S2N3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	348.062715
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	2.72
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-fluorophenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CN3CSCC3=O)C

DOS

IR

Vibrations