Geometry & MOs

Info

ID:	196978
PubChem CID:	78904009
Reduced:	FSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	433.197003
ΔH_f, kcal/mol:	-72.65
Dipole, Da:	6.97
IP(EA), eV:	-8.82(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclohexylamino)-3-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C2=C3C(=CC(=C2)F)NC(=S)N3

DOS

IR

Vibrations