Geometry & MOs

Info

ID:

438521

PubChem CID:

135228263

Reduced:

S3O8N11C33H59 (1)

Stoich.:

A3B8C11D33E59 (1)

Weight, g/mol:

402.105208

ΔHf, kcal/mol:

-393.2

Dipole, Da:

6.06

IP(EA), eV:

 -8.76(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-(methoxymethyl)-15-(trifluoromethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(CSCCC(=O)N1CN(CN(C1)C(=O)CCSCC(C(=O)N)NC(=O)CCCCCN=C(N)N)C(=O)CCSCCC(=O)N)C(=O)N

DOS

IR

Vibrations