Geometry & MOs

Info

ID:

181380

PubChem CID:

76737278

Reduced:

BN2P3C13O15H22 (1)

Stoich.:

AB2C3D13E15F22 (1)

Weight, g/mol:

506.202148

ΔHf, kcal/mol:

-793.3

Dipole, Da:

8.09

IP(EA), eV:

 -7.77(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-11-(5-methylhex-1-enyl)-8-propan-2-yl-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-triene-6,9,13-trione

Drug info:

PubChemData

Smile

[B]C1C(C(OC1N2CC(C(=O)NC2=O)CCCC=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations