Geometry & MOs

Info

ID:	166159
PubChem CID:	74642891
Reduced:	ClSO2N5C24H24 (1)
Stoich.:	ABC2D5E24F24 (1)
Weight, g/mol:	335.123838
ΔH_f, kcal/mol:	33.58
Dipole, Da:	6.47
IP(EA), eV:	-8.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-13-methyl-11-phenyl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]tridecane-4-thione

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)NCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations