Geometry & MOs

Info

ID:	442421
PubChem CID:	135251932
Reduced:	ClFS2N4O7H32C34 (1)
Stoich.:	ABC2D4E7F32G34 (1)
Weight, g/mol:	219.079647
ΔH_f, kcal/mol:	-238.27
Dipole, Da:	7.77
IP(EA), eV:	-8.91(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,8,10(17),11,13-octaene

Drug info:

PubChemData

Smile

CC(=O)SCC(CSC(=O)C)C(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)OC[C@H](CO)O

DOS

IR

Vibrations