Geometry & MOs

Info

ID:

84832

PubChem CID:

49870247

Reduced:

N2O15C47H76 (1)

Stoich.:

A2B15C47D76 (1)

Weight, g/mol:

277.038194

ΔHf, kcal/mol:

-694.24

Dipole, Da:

3.89

IP(EA), eV:

 -8.8(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-8-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

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CC[C@@H]1[C@@]([C@@H](CC(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2C[C@H]([C@@H]([C@](C2)(C)O)OC(=O)NCC3=CC4=C(C=C3)OCO4)C)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)OC)(C)O

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IR

Vibrations