Geometry & MOs

Info

ID:	304945
PubChem CID:	124766344
Reduced:	O4N6C19H20 (1)
Stoich.:	A4B6C19D20 (1)
Weight, g/mol:	327.954256
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	12.73
IP(EA), eV:	-8.9(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,11S,13R,14R)-4,6,8,10-tetrathiapentacyclo[12.2.1.02,13.03,11.05,9]heptadeca-5(9),15-diene-7-thione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)N5C=NN=N5

DOS

IR

Vibrations