Geometry & MOs

Info

ID:	28041
PubChem CID:	825253
Reduced:	O2S2N3H13C15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	335.05509
ΔH_f, kcal/mol:	86.24
Dipole, Da:	2.49
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-17-phenyl-8,16-dithia-6,14,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H]2C3=C(C=CC=N3)SC1C4=C(S2)N=CC=C4

DOS

IR

Vibrations