Geometry & MOs

Info

ID:	36657
PubChem CID:	8010379
Reduced:	OS2N6C14H14 (1)
Stoich.:	AB2C6D14E14 (1)
Weight, g/mol:	393.03408
ΔH_f, kcal/mol:	76.29
Dipole, Da:	4.97
IP(EA), eV:	-8.76(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R,10S)-6-methoxy-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraen-10-yl]acetate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(C2=CC=CC=C2)C(=O)CSC3=NNC(=N3)N

DOS

IR

Vibrations