Geometry & MOs

Info

ID:

160541

PubChem CID:

57389000

Reduced:

F2O9N10C66H90 (1)

Stoich.:

A2B9C10D66E90 (1)

Weight, g/mol:

274.048424

ΔHf, kcal/mol:

-439.97

Dipole, Da:

8.06

IP(EA), eV:

 -9.28(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(methoxymethyl)-N-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=CN=CC(=C3)C4=CC(=C(C=C4)F)C(=O)NCCCOCCOCCOCCCNC(=O)C5=C(C=CC(=C5)C6=CC(=CN=C6)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)F)NC

DOS

IR

Vibrations