Geometry & MOs

Info

ID:	13911
PubChem CID:	399932
Reduced:	OS2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	385.103103
ΔH_f, kcal/mol:	46.23
Dipole, Da:	4.9
IP(EA), eV:	-8.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylsulfanyl-7-piperidin-1-yl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol

Drug info:

PubChemData

Smile

CSC1=NC(=C2C(N3C4=CC=CC=C4N=C3SC2=N1)O)N5CCCCC5

DOS

IR

Vibrations