Geometry & MOs

Info

ID:	265839
PubChem CID:	103553263
Reduced:	ClFO2S2N3C12H17 (1)
Stoich.:	ABC2D2E3F12G17 (1)
Weight, g/mol:	301.135718
ΔH_f, kcal/mol:	-116.9
Dipole, Da:	8.4
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4,6-diamino-3-chloro-2-fluoroanilino)methyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1CSCCN1C2=C(C(=C(C=C2N)N)Cl)F

DOS

IR

Vibrations